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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 G0HHKd2EaXp
Name 3-(4-(Trifluoromethyl)phenyl)cyclopent-2-enone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.060549398 u
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
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500943
Molecular Weight 226.198 g/mol
Quality 91
Reported Formula C12H9F3O
SMILES C(C1=CC=C(C=C1)C1=CC(CC1)=O)(F)(F)F
SPLASH splash10-004i-0690000000-e6ee1835f305aebbd10c
Source of Spectrum QE-21-SM6-4g (DOI: 10.1002/chem.201500943)
Wiley ID 1906460