Proglumide Sodium Salt (C18H26N2O4)

Proglumide Sodium Salt bmse001271 - Data

View large 3D structure

BMRB entry bmse001271

Entry DOI: doi:10.13018/BMSE001271
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001271.str

NMR-STAR

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Structure file (mol/sdf):

bmse001271.mol

All files for

bmse001271

Time Domain Data:

bmse001271.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C113.11644
C213.23874
C322.90314
C424.22554
C5135.07161
C6131.47281
C7131.47281
C8129.99341
C9129.99341
C1030.47251
C1136.18561
C1250.8274
C1352.34054
C14135.74491
C1553.56861
C16184.16261
C17173.50951
C18175.96031
H250.86114
H260.86114
H270.86114
H280.94234
H290.94234
H300.94234
H311.56944
H321.74494
H331.56944
H341.56944
H357.62351
H367.52911
H377.52911
H387.78321
H397.78321
H402.01734
H412.07634
H422.35971
H432.35971
H443.19084
H453.40534
H463.47684
H473.54184
H484.94551

NMR experiments

1: 1D 1H
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001271_1.zip

2: 2D 1H-1H TOCSY
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001271_2.zip

3: 1D 13C
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001271_3.zip

4: 1D DEPT90
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001271_4.zip

5: 1D DEPT135
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001271_5.zip

6: 2D 1H-13C HSQC
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001271_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001271_7.zip

8: 2D 1H-13C HMBC
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001271_8.zip

9: 2D 1H-1H COSY
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001271_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 50mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001271_10.zip