Instrument/equipment Core/facility: Chemical and Biophysical Instrumentation Center (CBIC)

NMR and EPR

  1. Research Cores Directory
  2. Chemical and Biophysical Instrumentation Center (CBIC)
  3. NMR and EPR

Robert Berry, PhD

NMR Spectroscopist

Building: CRB 100 and KCL 3, 6, 7, 8

About the instruments

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500wb Bruker Neo 500 MHz NMR spectrometer
A400a Agilent DD2 400 MHz NMR spectrometer (autosampler) 
A400b Agilent DD2 400 MHz NMR spectrometer (manual)
A400c Agilent DD2 400 MHz NMR spectrometer (autosampler)
A500a Agilent DD2 500 MHz NMR spectrometer (manual)
A500b Agilent DD2 500 MHz NMR spectrometer (manual)
A600a Agilent DD2 600 MHz NMR spectrometer (autosampler)
A800 Agilent 800 MHz NMR spectrometer (manual)
EPR Bruker EleXsys EPR spectrometer
V600a Varian VNMRS 600 MHz NMR spectrometer (manual)
V600b Varian VNMRS 600 MHz NMR spectrometer (manual)
V700 Varian Inova 700 MHz NMR spectrometer (manual) 

500wb Bruker Neo 500 MHz NMR spectrometer

Spectrometer


Short name: V500wb
Instrument location: CRB 100
Date of acquisition: December 1995

500 MHz wide-bore NMR spectrometer.

3.2 mm CPMAS probe normally installed for solid-state NMR experiments.

Micro MRI imaging capabilities.

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A400a Agilent DD2 400 MHz NMR spectrometer (autosampler) 

Spectrometer


Short name: A400a
Instrument location: KCL 3
Date of acquisition: August 2013

2-channel system with AS7620 96-sample changer. OneNMR probe with auto-tune-and-match installed.

Undergraduates have priority on this instrument during lab periods.

Guides and standard operating procedures

Best experiments:

  • PROTON
  • COSY
  • Other nuclei: F19 (no H1 decoupling), P31, B11 (others by request)

Acceptable experiments:

  • C13CPD (nighttime)
  • 2D HSQC and HMBC experiments
  • 1D/2D NOE experiments

Not available:

  • Variable temperature experiments
  • Kinetics experiments
  • Simultaneous F19 and H1 experiments
Time required for NMR experiments on A400a
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM10 h 40 min35389 hours1785 hours1886 hours7129 hours
0.06 mg0.2 mM2 h 40 min10516 hours46 h 28 min474 h 12 min1785 hours
0.15 mg0.5 mM0 h 26 min1415 h 33 min6 h 10 min75 h 01 min284 h 44 min
0.3 mg1 mM0 h 06 min354 h 01 min1 h 40 min18 h 53 min71 h 19 min
0.6 mg2 mM0 h 01 min88 h 31 min0 h 26 min4 h 42 min17 h 51 min
1.5 mg5 mM< 1 min14 h 09 min0 h 03 min0 h 45 min2 h 51 min
3 mg10 mM< 1 min3 h 32 min0 h 03 min0 h 16 min1 h 07 min
6 mg20 mM< 1 min0 h 53 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 13 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 08 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A400b Agilent DD2 400 MHz NMR spectrometer (manual)

Spectrometer


Short name: A400b
Instrument location: KCL 3
Date of acquisition: October 2013

2-channel system. AutoX DB probe installed.  Variable-temperature and H/F experiments available.

Guides and standard operating procedures

Best experiments:

  • PROTON
  • Simultaneous F19 and H1 experiments (i.e. F19 with H1 decoupling)
  • Variable temperature experiments (with appropriate CBIC training)
  • Kinetics experiments

Acceptable experiments:

   C13CPD
   2D HSQC and HMBC experiments
   1D/2D NOE experiments

Not available:

  • Nuclei other than H1, F19 & C13
Time required for NMR experiments on A400b
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM44 h 44 min50960 hours644 hours7862 hours29844 hours
0.06 mg0.2 mM11 h 11 min12740 hours161 hours1965 hours7461 hours
0.15 mg0.5 mM1 h 47 min2038 h 24 min25 h 47 min319 h 18 min1193 h 57 min
0.3 mg1 mM0 h 27 min509 h 36 min6 h 30 min78 h 37 min298 h 40 min
0.6 mg2 mM0 h 07 min127 h 27 min1 h 38 min19 h 48 min75 h 40 min
1.5 mg5 mM0 h 01 min20 h 23 min0 h 16 min3 h 08 min12 h 15 min
3 mg10 mM< 1 min5 h 15 min0 h 06 min0 h 47 min1 h 32 min
6 mg20 mM< 1 min1 h 16 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 19 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 12 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A400c Agilent DD2 400 MHz NMR spectrometer (autosampler)

Spectrometer


Short name: A400c
Instrument location: KCL 3
Date of acquisition: October 2013
 

2-channel system with AS7620 96-sample changer. OneNMR probe with auto-tune-and-match installed.

Primarily used for short, routine NMR experiments where data is needed quickly.

Guides and standard operating procedures

Best experiments:

  • PROTON 
  • COSY
  • Other nuclei: F19 (no H1 decoupling), P31, B11 (others by request)

Acceptable experiments:

  • C13CPD (nighttime)
  • 2D HSQC and HMBC experiments (nighttime)
  • 1D/2D NOE experiments (nighttime)

Not available:

  • Variable temperature experiments
  • Kinetics experiments
  • Simultaneous F19 and H1 experiments
Time required for NMR experiments on A400c
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM10 h 40 min35389 hours1785 hours1886 hours7129 hours
0.06 mg0.2 mM2 h 40 min10516 hours46 h 28 min474 h 12 min1785 hours
0.15 mg0.5 mM0 h 26 min1415 h 33 min6 h 10 min75 h 01 min284 h 44 min
0.3 mg1 mM0 h 06 min354 h 01 min1 h 40 min18 h 53 min71 h 19 min
0.6 mg2 mM0 h 01 min88 h 31 min0 h 26 min4 h 42 min17 h 51 min
1.5 mg5 mM< 1 min14 h 09 min0 h 03 min0 h 45 min2 h 51 min
3 mg10 mM< 1 min3 h 32 min0 h 03 min0 h 16 min1 h 07 min
6 mg20 mM< 1 min0 h 53 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 13 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 08 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A500a Agilent DD2 500 MHz NMR spectrometer (manual)

Spectrometer


Short name: A500a
Instrument location: KCL 3
Date of acquisition: January 2014

2-channel system, OneNMR probe with auto-tune-and-match installed.

Guides and standard operating procedures

Best experiments:

  • PROTON
  • COSY
  • 2D HSQC and HMBC experiments
  • 1D/2D NOE experiments
  • Other nuclei: F19 (no H1 decoupling), P31, B11 (others by request)
  • Variable temperature experiments
  • Kinetics experiments

Acceptable experiments:

  • C13CPD

Not available:

  • Simultaneous F19 and H1 experiments
Time required for NMR experiments on A500a
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM5 hours16962 hours67 h 16 min820 h 42 min3113 h 37 min
0.06 mg0.2 mM1 h 10 min424 h 02 min16 h 50 min205 h 15 min779 h 06 min
0.15 mg0.5 mM0 h 11 min678 h 28 min2 h 45 min32 h 50 min124 h 34 min
0.3 mg1 mM0 h 03 min170 h 00 min0 h 42 min8 h 20 min31 h 09 min
0.6 mg2 mM< 1 min4 h 15 min0 h 11 min2 h 05 min7 h 48 min
1.5 mg5 mM< 1 min3 h 11 min0 h 03 min0 h 08 min1 h 40 min
3 mg10 mM< 1 min1 h 42 min0 h 03 min0 h 08 min0 h 17 min
6 mg20 mM< 1 min0 h 25 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 06 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A500b Agilent DD2 500 MHz NMR spectrometer (manual)

Spectrometer


Short name: A500b
Instrument location: KCL 3
Date of acquisition: September 2012

2-channel system, OneNMR probe with auto-tune-and-match installed.

Guides and standard operating procedures

Best experiments:

  • PROTON
  • COSY
  • 2D HSQC and HMBC experiments
  • 1D/2D NOE experiments
  • Other nuclei: F19 (no H1 decoupling), P31, B11, (others by request)
  • Variable temperature experiments
  • Kinetics experiments

Acceptable experiments:

  • C13CPD

Not available:

  • Simultaneous F19 and H1 experiments
Time required for NMR experiments on A500b
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM5 hours16962 hours67 h 16 min820 h 42 min3113 h 37 min
0.06 mg0.2 mM1 h 10 min424 h 02 min16 h 50 min205 h 15 min779 h 06 min
0.15 mg0.5 mM0 h 11 min678 h 28 min2 h 45 min32 h 50 min124 h 34 min
0.3 mg1 mM0 h 03 min170 h 00 min0 h 42 min8 h 20 min31 h 09 min
0.6 mg2 mM< 1 min4 h 15 min0 h 11 min2 h 05 min7 h 48 min
1.5 mg5 mM< 1 min3 h 11 min0 h 03 min0 h 08 min1 h 40 min
3 mg10 mM< 1 min1 h 42 min0 h 03 min0 h 08 min0 h 17 min
6 mg20 mM< 1 min0 h 25 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 06 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A600a Agilent DD2 600 MHz NMR spectrometer (autosampler)

Spectrometer


Short name: A600a
Instrument location: KCL 3
Date of acquisition: October 2013

3-channel system with AS7510 12-sample automatic sample changer. C{H} cold probe with auto-tune-and-match installed. Highest sensitivity for C13 NMR experiments.

Guides and standard operating procedures

Best experiments:

  • CARBON
  • PROTON

Acceptable experiments:

  • 1D/2D NOE experiments

Not available:

  • Variable temperature experiments
  • Kinetics experiments
  • Nuclei other than H1 and C13
Time required for NMR experiments on A600a
MassConcentrationProtonCarbongCOSY gHSQCgHMBC
0.03 mg0.1 mM0 h 24 min1298 hours5 h 54 min72 h 04 min272 h 22 min
0.06 mg0.2 mM0 h 06 min324 h 32 min1 h 28 min19 h 35 min68 h 32 min
0.15 mg0.5 mM0 h 01 min51 h 56 min0 h 16 min3 h 11 min11 h 10 min
0.3 mg1 mM< 1 min13 h 00 min0 h 03 min0 h 47 min2 h 47 min
0.6 mg2 mM< 1 min3 h 15 min0 h 03 min0 h 16 min1 h 07 min
1.5 mg5 mM< 1 min0 h 31 min0 h 03 min0 h 08 min0 h 34 min
3 mg10 mM< 1 min0 h 08 min0 h 03 min0 h 08 min0 h 17 min
6 mg20 mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min
12 mg40 mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min
15 mg50 mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min
> 30 mg100+ mM< 1 min0 h 04 min0 h 03 min0 h 08 min0 h 17 min

All estimates based on a 500 MW sample in 600 uL solvent volume using a 5 mm diameter NMR tube.

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A800 Agilent 800 MHz NMR spectrometer (manual)

Staircase leading to a spectrometer


Short name: A800
Instrument location: CRB 100
Date of acquisition: July 2013

4-channel system. Inverse-detect HCN probe, dual-band (direct-detect) probe, and H{CN} C13-sensitivity enhanced salt-tolerant cold probe available.

Experienced users only. Contact CBIC staff for more information.

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EPR Bruker EleXsys EPR spectrometer

Spectrometer


Short name: EPR
Instrument location: KCL 12
Date of acquisition: September 2000

X-band electron paramagnetic resonance. Equipped with a cryogen-free cryostat.
 

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V600a Varian VNMRS 600 MHz NMR spectrometer (manual)

Spectrometer


Short name: V600a
Instrument location: CRB 100
Date of acquisition: July 2009

3-channel system. Inverse-detect HCN probe installed.

 

 

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V600b Varian VNMRS 600 MHz NMR spectrometer (manual)

Spectrometer


Short name: V600b
Instrument location: CRB 100
Date of acquisition: August 2002

3-channel system. Inverse-detect HCN probe installed.
 

 


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V700 Varian Inova 700 MHz NMR spectrometer (manual)

Spectrometer

Short name: V300b
Instrument location: KCL 3
Date of acquisition: October 2010

4-channel system. Triple-resonance probe normally installed.

 

 

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Available to Yale researchers & external researchers

Core website

Rates

2022 internal rates
2022 external for-profit user rates

NameInst. numberPrice ($) / unitUnitRate ($) / hour
NMR & EPR
A400a1412.5010 minutes75.00
A400b1312.5010 minutes75.00
A400c1212.5010 minutes75.00
A500a8612.5010 minutes75.00
A500b6112.5010 minutes75.00
A600a1016.6710 minutes100.02
V500wb42100.001 hour100.00
V600a68100.001 hour100.00
V600b69100.001 hour100.00
A80087182.001 hour182.00
EPR8412.5010 minutes75.00

Training & services

Each year we welcome more than 50 new users to the CBIC. Whether it's a new graduate student or a veteran scientific researcher, we require every user new to our center to be trained by our staff before being granted an account. Every facility does things a little differently, so for your own safety as well as the quality of your results, it is in your best interest to take this training seriously. If you are using the instruments and have not received training, please contact us and we will be happy to help you schedule a training session.

Training sessions
Training sessions for new NMR users are usually held on Tuesday afternoons at 2:00 pm. You must request an account online prior to the training session. If you need an alternate time for training, please indicate your availability in the account request information text box. Training sessions for other instruments are scheduled according to demand.

Supplementary resources
Online training quizzes
Training videos on our YouTube channel

NMR Spectroscopist

Robert Berry, PhD

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