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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-Hydroxycinnamic Acid (C9H8O3)
BMRB entry bmse000150
Entry DOI: doi:10.13018/BMSE000150
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, Francisca Jofre, John L. Markley
NMR-STAR file: bmse000150.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000150.mol
All files for bmse000150
Time Domain Data: bmse000150.zip
View the GISSMO record for this entry.
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 DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C1 | 132.299 | 1 |
| C2 | C2 | 132.299 | 1 |
| C4 | C3 | 118.532 | 1 |
| C5 | C4 | 118.532 | 1 |
| C3 | C5 | 143.525 | 1 |
| C6 | C6 | 124.123 | 1 |
| C7 | C7 | 130.193 | 1 |
| C8 | C8 | 159.818 | 1 |
| C9 | C9 | 178.908 | 1 |
| H13 | H13 | 7.501 | 1 |
| H14 | H14 | 7.501 | 1 |
| H16 | H15 | 6.905 | 1 |
| H17 | H16 | 6.905 | 1 |
| H15 | H17 | 7.332 | 1 |
| H18 | H18 | 6.364 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
