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Caffeic acid
SpectraBase Compound ID EId8scFWYs0
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)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-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 3t4WTFy2DdR
Name 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
CAS Registry Number 331-39-5
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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)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Weight 180.159 g/mol
SMILES Oc1cc(ccc1O)\C=C\C(=O)O
SPLASH splash10-001r-3900000000-6bbb26c35268844eddb1
Source of Spectrum Y1-38-1010-0
Synonyms Cinnamic acid, 3,4-dihydroxy- (2E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid (E)-3-(3,4-dihydroxyphenyl)acrylic acid (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid 3,4-Dihydroxybenzeneacrylic acid 3-(3,4-Dihydroxyphenyl)propenoic acid 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene Caffeate Caffeic acid cis-Caffeic acid CCRIS 847 EINECS 206-361-2 HSDB 7088 NSC 57197
Wiley ID 1527819