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(4-Cyanobenzyl)(2,4,5-trichlorophenyl)sulphone
SpectraBase Compound ID 4bHIxHgVh5L
InChI InChI=1S/C14H8Cl3NO2S/c15-11-5-13(17)14(6-12(11)16)21(19,20)8-10-3-1-9(7-18)2-4-10/h1-6H,8H2
InChIKey ONXSVHJPKLXCIP-UHFFFAOYSA-N
Mol Weight 360.64 g/mol
Molecular Formula C14H8Cl3NO2S
Exact Mass 358.934133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LjJXYn3RsX
Name (4-Cyanobenzyl)(2,4,5-trichlorophenyl)sulphone
Alternate Name(s) 4-{[(2,4,5-Trichlorophenyl)sulfonyl]methyl}benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8Cl3NO2S
InChI InChI=1S/C14H8Cl3NO2S/c15-11-5-13(17)14(6-12(11)16)21(19,20)8-10-3-1-9(7-18)2-4-10/h1-6H,8H2
InChIKey ONXSVHJPKLXCIP-UHFFFAOYSA-N
Molecular Weight 360.642 g/mol
SMILES c1(S(Cc2ccc(C#N)cc2)(=O)=O)cc(Cl)c(cc1Cl)Cl
SPLASH splash10-014i-0900000000-b5d7bafe3f9887491738
Source of Spectrum KC-0-540-31
Wiley ID 820431