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Hydrocaffeic acid ME              @
SpectraBase Compound ID 3lDmu8Vm4VI
InChI InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3
InChIKey NTULQOXXTCSEHM-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyfeGyv5aD8
Name Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester
CAS Registry Number 3598-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3
InChIKey NTULQOXXTCSEHM-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES Oc1cc(ccc1O)CCC(=O)OC
SPLASH splash10-00dr-5900000000-bc047d64497c18a8f1ec
Source of Spectrum W5-0-0-0
Synonyms Hydrocinnamic acid, 3,4-dihydroxy-, methyl ester Methyl 3-(3,4-dihydroxyphenyl)propanoate 3-(3,4-dihydroxyphenyl)propanoic acid methyl ester 3-(3,4-dihydroxyphenyl)propionic acid methyl ester Methyl 3-[3,4-bis(oxidanyl)phenyl]propanoate
Wiley ID 1192772