Nalidixic Acid Sodium Salt (C12H12N2O3)

Nalidixic Acid Sodium Salt bmse001237 - Data

View large 3D structure

BMRB entry bmse001237

Entry DOI: doi:10.13018/BMSE001237
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001237.str

NMR-STAR

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Structure file (mol/sdf):

bmse001237.mol

All files for

bmse001237

Time Domain Data:

bmse001237.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C117.06921
C226.89431
C349.25831
C4124.14821
C5138.57341
C6150.72871
C7166.721
C8122.55721
C9121.27431
C10179.51761
C11149.90421
C12175.04951
H181.39691
H191.39691
H201.39691
H212.60641
H222.60641
H232.60641
H244.40851
H254.40851
H267.27661
H278.36711
H288.52571

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 1
Download time domain data: bmse001237_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 2
Download time domain data: bmse001237_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 3
Download time domain data: bmse001237_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 4
Download time domain data: bmse001237_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 5
Download time domain data: bmse001237_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 6
Download time domain data: bmse001237_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001237_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 8
Download time domain data: bmse001237_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 9
Download time domain data: bmse001237_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 10
Download time domain data: bmse001237_10.zip