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Caffeic acid 2ME
SpectraBase Compound ID C7qkZWRk11l
InChI InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4-
InChIKey JTLOUXXZZFFBBW-XQRVVYSFSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JK2M1aUNKS
Name Caffeic acid 2ME
Classification Lignin intermediate derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4-
InChIKey JTLOUXXZZFFBBW-XQRVVYSFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.213 g/mol
Nominal Mass 208 u
Quality 932
Retention Index 1497
SMILES OC=1C(=CC=C(C1)\C=C/C(OC)=O)OC
SPLASH splash10-0a6s-3930000000-0fe0ca7eb01e1730b063
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl (2Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Technique GC/MS
Wiley ID DD2024_025424