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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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4-Hydroxybenzaldehyde (C7H6O2)
BMRB entry bmse000259
Entry DOI: doi:10.13018/BMSE000259
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000259.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000259.mol
All files for bmse000259
Time Domain Data: bmse000259.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 D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | C3 | 197.077 | 1 |
| C7 | C4 | 169.486 | 1 |
| C6 | C5 | 129.579 | 1 |
| C3 | C6 | 119.864 | 1 |
| C4 | C7 | 119.864 | 1 |
| C1 | C8 | 136.155 | 1 |
| C2 | C9 | 136.155 | 1 |
| H14 | H11 | 9.601 | 1 |
| H12 | H12 | 6.9 | 1 |
| H13 | H13 | 6.9 | 1 |
| H10 | H14 | 7.79 | 1 |
| H11 | H15 | 7.79 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
