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3,4-Dihydroxycinnamic acid
SpectraBase Compound ID 10Km2BOWyqA
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
InChIKey QAIPRVGONGVQAS-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8nVZfqT6bJ
Name 3-(3,4-Dihydroxyphenyl)prop-2-enoic acid
Alternate Name(s) Caffeic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
InChIKey QAIPRVGONGVQAS-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 180.159 g/mol
SMILES OC(C=Cc1cc(c(cc1)O)O)=O
SPLASH splash10-000i-9600000000-8f80465559fc9f503840
Source of Spectrum SRH-2022-7237-0
Wiley ID 1829036