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2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID KyrxAUcPNqj
InChI InChI=1S/C7H3F3O2/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H
InChIKey IFNVAFSTWNJVTQ-UHFFFAOYSA-N
Mol Weight 176.09 g/mol
Molecular Formula C7H3F3O2
Exact Mass 176.008514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBawJfvrx1h
Name 2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F3O2
InChI InChI=1S/C7H3F3O2/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H
InChIKey IFNVAFSTWNJVTQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4016095
Molecular Weight 176.094 g/mol
SMILES C1=CC(C(C(F)(F)F)=CC1=O)=O
SPLASH splash10-0fb9-4900000000-3c101c183fe02bc192bd
Source of Spectrum A1-15-3730/SMS16-3k
Synonyms 2-(trifluoromethyl)-1,4-benzoquinone
Wiley ID 1748917