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p-Coumaric acid
SpectraBase Compound ID 5yAvk4aJQlY
InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey NGSWKAQJJWESNS-ZZXKWVIFSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Vkv3iGddSl
Name p-Coumaric acid
CAS Registry Number 7400-08-0
Classification Biomolecule
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Exact Mass 164.047344115 u
Formula C9H8O3
InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey NGSWKAQJJWESNS-ZZXKWVIFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.160 g/mol
SMILES C(\C=C\c1ccc(cc1)O)(=O)O
SPLASH splash10-03xr-9200000000-0f7357b27689d38167e6
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_5760