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4-hydroxy-4-(trifluoromethyl)-1-cyclohexa-2,5-dienone
SpectraBase Compound ID 8osdbcjbbWt
InChI InChI=1S/C7H5F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h1-4,12H
InChIKey FSHWPSGAOQQQAI-UHFFFAOYSA-N
Mol Weight 178.11 g/mol
Molecular Formula C7H5F3O2
Exact Mass 178.024164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZQCFT9d3xy
Name 4-hydroxy-4-(trifluoromethyl)-1-cyclohexa-2,5-dienone
CAS Registry Number 113281-23-5
Comments Less than 3 mono-isotopic peaks
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Formula C7H5F3O2
InChI InChI=1S/C7H5F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h1-4,12H
InChIKey FSHWPSGAOQQQAI-UHFFFAOYSA-N
Molecular Weight 178.110 g/mol
SMILES OC1(C(F)(F)F)C=CC(C=C1)=O
SPLASH splash10-0a6r-0900000000-442582f4248f7bf5c249
Source of Spectrum KC-1987-1864-14
Synonyms 4-hydroxy-4-(trifluoromethyl)cyclohexa-2,5-dien-1-one 4-oxidanyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-one
Wiley ID 1173582