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p-Coumaric acid PFP
SpectraBase Compound ID bcWHB5Qau9
InChI InChI=1S/C12H7F5O4/c13-11(14,12(15,16)17)10(20)21-8-4-1-7(2-5-8)3-6-9(18)19/h1-6H,(H,18,19)/b6-3+
InChIKey QQIIODOXUNSDOS-ZZXKWVIFSA-N
Mol Weight 310.18 g/mol
Molecular Formula C12H7F5O4
Exact Mass 310.02645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iDEDoNyf15
Name p-Coumaric acid PFP
Classification Biomolecule
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Exact Mass 310.026449516 u
Formula C12H7F5O4
InChI InChI=1S/C12H7F5O4/c13-11(14,12(15,16)17)10(20)21-8-4-1-7(2-5-8)3-6-9(18)19/h1-6H,(H,18,19)/b6-3+
InChIKey QQIIODOXUNSDOS-ZZXKWVIFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.176 g/mol
SMILES c1c(ccc(c1)OC(C(C(F)(F)F)(F)F)=O)\C=C\C(O)=O
SPLASH splash10-03xr-9614000000-b5c0fdcb693415c8255e
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_5984