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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3,4-dihydroxyhydrocinnamate (C9 H10 O4)

Natural Isotopic formula weight: 182.1733

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bmse000680 Data

Entry STAR file: bmse000680.str
NMR-STAR interactive viewer
Time Domain Data: bmse000680.zip
BMRB Entry DOI: doi:10.13018/BMSE000680
Mol file: bmse000680.mol

3,4-Dihydroxyhydrocinnamate
Source:   Sigma
Solvent:   100 % ethanol
Reference:   0.5 % TMS

Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 500 MHz

Data Source: Madison Metabolomics Consortium - Francisca . Jofre ., Mark E. Anderson ., John L. Markley ., Ravi . Rapolu ..

View the GISSMO record for this entry.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773

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Experimental Data:

1D 1H

Concentration: Saturated 1
temperature: 298 K
1D 1H, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_1.zip
View Spectral peak list

2D [1H,1H]-TOCSY

Concentration: Saturated 1
temperature: 298 K
2D [1H,1H]-TOCSY, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_2.zip

1D 13C

Concentration: Saturated 1
temperature: 298 K
1D 13C, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_3.zip
View Spectral peak list

1D DEPT90

Concentration: Saturated 1
temperature: 298 K
1D DEPT90, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_4.zip
View Spectral peak list

1D DEPT135

Concentration: Saturated 1
temperature: 298 K
1D DEPT135, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_5.zip
View Spectral peak list

2D [1H,13C]-HSQC

Concentration: Saturated 1
temperature: 298 K
2D [1H,13C]-HSQC, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_6.zip
View Spectral peak list

2D [1H,13C]-HMBC

Concentration: Saturated 1
temperature: 298 K
2D [1H,13C]-HMBC, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_7.zip
View Spectral peak list

2D [1H,1H]-COSY

Concentration: Saturated 1
temperature: 298 K
2D [1H,1H]-COSY, n/a spectrum for 3,4-dihydroxyhydrocinnamate
Download data directory: bmse000680_8.zip