BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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4-Hydroxy-benzoic Acid (C7H6O3)

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BMRB entry bmse000583

Entry DOI: doi:10.13018/BMSE000583
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000583.str
NMR-STAR interactive viewer
Mol file: bmse000583.mol
All files for bmse000583
Time Domain Data: bmse000583.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C1131.9721
C2C2131.9721
C3C3115.5571
C4C4115.5571
C5C5121.7831
C6C6162.0421
C7C7167.6101
H11H117.7911
H12H127.7911
H13H136.8231
H14H146.8231

NMR experiments

1: 1D 1H
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000583_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000583_2.zip

3: 1D 13C
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000583_3.zip

4: 1D DEPT90
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000583_4.zip

5: 1D DEPT135
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000583_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000583_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000583_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000583_8.zip