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2-Propenoic acid, 3-[3,4-bis(acetyloxy)phenyl]-
SpectraBase Compound ID 5sH79TOWBwD
InChI InChI=1S/C13H12O6/c1-8(14)18-11-5-3-10(4-6-13(16)17)7-12(11)19-9(2)15/h3-7H,1-2H3,(H,16,17)/b6-4+
InChIKey ZDIYGBWFISUTHI-GQCTYLIASA-N
Mol Weight 264.23 g/mol
Molecular Formula C13H12O6
Exact Mass 264.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A6rSMeyXo
Name Caffeic acid 2AC @
Classification Plant ingredient
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Exact Mass 264.063388100 u
Formula C13H12O6
InChI InChI=1S/C13H12O6/c1-8(14)18-11-5-3-10(4-6-13(16)17)7-12(11)19-9(2)15/h3-7H,1-2H3,(H,16,17)/b6-4+
InChIKey ZDIYGBWFISUTHI-GQCTYLIASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 264.233 g/mol
SMILES c1(cc(c(cc1)OC(C)=O)OC(C)=O)\C=C\C(O)=O
SPLASH splash10-001i-3910000000-97621cf9a46e29282000
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 3,4-Dihydroxycinnamic acid 2AC
Technique GC/MS
Wiley ID MMPW6e_5968