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Methyl caffeate
SpectraBase Compound ID CksWsXJr5vG
InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BDVWGfV5lF
Name Methyl 3,4-dihydroxycinnamate
CAS Registry Number 3843-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O4
InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Weight 194.186 g/mol
SMILES Oc1cc(ccc1O)\C=C\C(OC)=O
SPLASH splash10-03dl-5900000000-c42f85e4b124c9fc2636
Source of Spectrum IY-2-4860-5
Synonyms 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid methyl ester Methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (E)-3-(3,4-dihydroxyphenyl)acrylic acid methyl ester Methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate
Wiley ID 1656828