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trans-2-Hydroxycinnamic acid
SpectraBase Compound ID 935FqgkgHly
InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKey PMOWTIHVNWZYFI-AATRIKPKSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EMdc9AyAIJK
Name trans-2-Hydroxycinnamic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 583-17-5; 614-60-8
ChEBI ID 18125
Comments 100 mM trans-2-Hydroxycinnamic acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H8 O3
IUPAC Name (E)-3-(2-hydroxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxyphenyl)acrylic acid
InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKey PMOWTIHVNWZYFI-AATRIKPKSA-N
KEGG Compound ID C01772
PubChem Compound ID 637540
SMILES C1=CC=C(C(=C1)C=CC(=O)O)O; C1=CC=C(C(=C1)\C=C\C(=O)O)O
Source File Reference bmse000347