2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside (C14H18N2O8)

2-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside bmse001212 - Data

View large 3D structure

BMRB entry bmse001212

Entry DOI: doi:10.13018/BMSE001212
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001212.str

NMR-STAR

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Structure file (mol/sdf):

bmse001212.mol

All files for

bmse001212

Time Domain Data:

bmse001212.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C122.62391
C2119.35364
C3123.62474
C4126.19714
C5135.27554
C662.29351
C7173.99591
C8142.39891
C9150.8351
C1075.58531
C1155.45611
C1271.72481
C1372.27881
C1498.80481
H251.99541
H261.99541
H271.99541
H287.17674
H297.50984
H307.58584
H317.81394
H323.71144
H333.77184
H343.71141
H354.04991
H363.49981
H373.86251
H385.74841

NMR experiments

1: 1D 1H
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001212_1.zip

2: 2D 1H-1H TOCSY
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001212_2.zip

3: 1D 13C
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001212_3.zip

4: 1D DEPT90
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001212_4.zip

5: 1D DEPT135
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001212_5.zip

6: 2D 1H-13C HSQC
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001212_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001212_7.zip

8: 2D 1H-13C HMBC
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001212_8.zip

9: 2D 1H-1H COSY
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001212_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 50mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001212_10.zip