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p-Coumaric acid HFB
SpectraBase Compound ID 1PBHJ7yFXg9
InChI InChI=1S/C13H7F7O4/c14-11(15,12(16,17)13(18,19)20)10(23)24-8-4-1-7(2-5-8)3-6-9(21)22/h1-6H,(H,21,22)/b6-3+
InChIKey IUOCWDXRQLUQGT-ZZXKWVIFSA-N
Mol Weight 360.18 g/mol
Molecular Formula C13H7F7O4
Exact Mass 360.023256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51jEU7d65w
Name p-Coumaric acid HFB
Classification Biomolecule
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Exact Mass 360.023255842 u
Formula C13H7F7O4
InChI InChI=1S/C13H7F7O4/c14-11(15,12(16,17)13(18,19)20)10(23)24-8-4-1-7(2-5-8)3-6-9(21)22/h1-6H,(H,21,22)/b6-3+
InChIKey IUOCWDXRQLUQGT-ZZXKWVIFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 360.184 g/mol
SMILES c1c(ccc(c1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)\C=C\C(O)=O
SPLASH splash10-03xr-9505000000-ff419cbc6f6a86d2b11a
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
Technique GC/MS
Wiley ID MMPW6e_5986