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Hydrocaffeic acid metfa @P854
SpectraBase Compound ID 3ZwwHSPd0ED
InChI InChI=1S/C12H11F3O5/c1-19-10(17)5-3-7-2-4-9(8(16)6-7)20-11(18)12(13,14)15/h2,4,6,16H,3,5H2,1H3
InChIKey SXJSDCIRGLZCBT-UHFFFAOYSA-N
Mol Weight 292.21 g/mol
Molecular Formula C12H11F3O5
Exact Mass 292.055858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B08YQaM9p4a
Name Hydrocaffeic acid METFA @
Classification Biomolecule
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Exact Mass 292.055857938 u
Formula C12H11F3O5
InChI InChI=1S/C12H11F3O5/c1-19-10(17)5-3-7-2-4-9(8(16)6-7)20-11(18)12(13,14)15/h2,4,6,16H,3,5H2,1H3
InChIKey SXJSDCIRGLZCBT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 292.210 g/mol
SMILES c1(cc(c(cc1)OC(C(F)(F)F)=O)O)CCC(OC)=O
SPLASH splash10-0apl-9660000000-865a8ee605c0f19ee099
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 Caffeic acid artifact (dihydro-) METFA
Technique GC/MS
Wiley ID MMPW6e_5969