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3-(4-(Trifluoromethyl)phenyl)cyclopent-2-enone
SpectraBase Compound ID 4dMW0U1Z4Fq
InChI InChI=1S/C12H9F3O/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(16)7-9/h1-2,4-5,7H,3,6H2
InChIKey QLKRYYWHXWLSTA-UHFFFAOYSA-N
Mol Weight 226.2 g/mol
Molecular Formula C12H9F3O
Exact Mass 226.060549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xQHo3DISe
Name 3-[4-(trifluoromethyl)phenyl]-2-cyclopenten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3O
InChI InChI=1S/C12H9F3O/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(16)7-9/h1-2,4-5,7H,3,6H2
InChIKey QLKRYYWHXWLSTA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201302058
Molecular Weight 226.198 g/mol
SMILES c1(ccc(C(F)(F)F)cc1)C1=CC(CC1)=O
SPLASH splash10-056r-0970000000-61bb9584f75971fb4a95
Source of Spectrum ACI-52-SMS13-4k
Synonyms 3-(4-(trifluoromethyl)phenyl)cyclopent-2-en-1-one
Wiley ID 1781438