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1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-one
SpectraBase Compound ID 3tkLwLHMLlz
InChI InChI=1S/C9H6ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2
InChIKey PLTVOBWRGAWZOU-UHFFFAOYSA-N
Mol Weight 222.59 g/mol
Molecular Formula C9H6ClF3O
Exact Mass 222.005927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2v2g4cKstM
Name 1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-one
Alternate Name(s) 1-(4-Chlorophenyl)-3,3,3-trifluoro-1-propanone 1-(4-Chlorophenyl)-3,3,3-tris(fluoranyl)propan-1-one
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Formula C9H6ClF3O
InChI InChI=1S/C9H6ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2
InChIKey PLTVOBWRGAWZOU-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2014.01.020
Molecular Weight 222.594 g/mol
SMILES c1cc(C(CC(F)(F)F)=O)ccc1Cl
SPLASH splash10-01p9-1900000000-17df4dac53ff383392de
Source of Spectrum JFC-161-131-2c
Wiley ID 1746498