BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-Hydroxycinnamic Acid (C9H8O3)

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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
Mol file: 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 IDAuthor NomenclatureValueAmbiguity Code
C1C1132.2991
C2C2132.2991
C4C3118.5321
C5C4118.5321
C3C5143.5251
C6C6124.1231
C7C7130.1931
C8C8159.8181
C9C9178.9081
H13H137.5011
H14H147.5011
H16H156.9051
H17H166.9051
H15H177.3321
H18H186.3641

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000150_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000150_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000150_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000150_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000150_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000150_6.zip