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PARA-HYDROXY-CINNAMATE
SpectraBase Compound ID 2iL5XghoGBi
InChI InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChIKey NITWSHWHQAQBAW-QPJJXVBHSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5IMJnd102d
Name Methyl coumarate
Alternate Name(s) Methyl (E)-3-(4-hydroxyphenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChIKey NITWSHWHQAQBAW-QPJJXVBHSA-N
Literature Reference DOI 10.1002/cssc.201800455
Molecular Weight 178.187 g/mol
SMILES Oc1ccc(cc1)\C=C\C(OC)=O
SPLASH splash10-00kb-3900000000-d52121c3acf38785b59c
Source of Spectrum CSC-11-SM45-SM45_1
Wiley ID 1813591