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4-CHLORO-5,5-DIFLUORO-3-METHYL-2-PHENYL-2-CYCLOPENTEN-1-ONE
SpectraBase Compound ID 9jBCLnIFF4a
InChI InChI=1S/C12H9ClF2O/c1-7-9(8-5-3-2-4-6-8)11(16)12(14,15)10(7)13/h2-6,10H,1H3
InChIKey XYCCZCVDYVAFLI-UHFFFAOYSA-N
Mol Weight 242.65 g/mol
Molecular Formula C12H9ClF2O
Exact Mass 242.030999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6rrsF0z2Yd
Name 4-chloranyl-5,5-bis(fluoranyl)-3-methyl-2-phenyl-cyclopent-2-en-1-one
Alternate Name(s) 4-chloro-5,5-difluoro-3-methyl-2-phenyl-1-cyclopent-2-enone 4-chloro-5,5-difluoro-3-methyl-2-phenyl-cyclopent-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClF2O
InChI InChI=1S/C12H9ClF2O/c1-7-9(8-5-3-2-4-6-8)11(16)12(14,15)10(7)13/h2-6,10H,1H3
InChIKey XYCCZCVDYVAFLI-UHFFFAOYSA-N
Molecular Weight 242.653 g/mol
SMILES C1(C(=C(C(C1(F)F)Cl)C)c1ccccc1)=O
SPLASH splash10-0a4l-0090000000-9646d08035c967b23f66
Source of Spectrum J-64-4029-4
Wiley ID 1530197