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Caffeic acid 2ME                  @
SpectraBase Compound ID IKnDjet7kK0
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-GQCTYLIASA-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 LEJ9yGsTxIQ
Name Caffeic acid 2ME @
CAS Registry Number 2309-07-1
Classification Plant ingredient
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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-GQCTYLIASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.213 g/mol
SMILES c1(cc(c(cc1)OC)O)\C=C\C(OC)=O
SPLASH splash10-056r-5930000000-402254cbd2a500d74ae6
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 Ferulic acid ME 4-Hydroxy-3-methoxy-cinnamic acid ME
Technique GC/MS
Wiley ID MMPW6e_5966