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1-(3-Chloro-5-trifluoromethylphenyl)-1-phenyl-1-p-tolylsulfonylmethane
SpectraBase Compound ID F32ks24gO9A
InChI InChI=1S/C21H16ClF3O2S/c1-14-7-9-19(10-8-14)28(26,27)20(15-5-3-2-4-6-15)16-11-17(21(23,24)25)13-18(22)12-16/h2-13,20H,1H3
InChIKey BMHNXZVHWVZMFT-UHFFFAOYSA-N
Mol Weight 424.87 g/mol
Molecular Formula C21H16ClF3O2S
Exact Mass 424.051163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeEsNOLLBIY
Name 1-(3-Chloro-5-trifluoromethylphenyl)-1-phenyl-1-p-tolylsulfonylmethane
Alternate Name(s) 1-Chloro-3-[[(4-methylphenyl)sulfonyl](phenyl)methyl]-5-(trifluoromethyl)benzene [3-chloro-5-(trifluoromethyl)phenyl](phenyl)methyl 4-methylphenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClF3O2S
InChI InChI=1S/C21H16ClF3O2S/c1-14-7-9-19(10-8-14)28(26,27)20(15-5-3-2-4-6-15)16-11-17(21(23,24)25)13-18(22)12-16/h2-13,20H,1H3
InChIKey BMHNXZVHWVZMFT-UHFFFAOYSA-N
Molecular Weight 424.865 g/mol
SMILES C(S(=O)(=O)c1ccc(cc1)C)(c1ccccc1)c1cc(cc(c1)C(F)(F)F)Cl
SPLASH splash10-014i-0090000000-11c2a6acd9db7253c329
Source of Spectrum Y1-45-3195-5
Wiley ID 1622062