For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[4-Chloro-2-(toluene-4-sulfonylmethyl)-phenyl]-phenyl-carbodiimide
SpectraBase Compound ID A2iT1819q40
InChI InChI=1S/C21H17ClN2O2S/c1-16-7-10-20(11-8-16)27(25,26)14-17-13-18(22)9-12-21(17)24-15-23-19-5-3-2-4-6-19/h2-13H,14H2,1H3
InChIKey JKYCEVRHOLXKOG-UHFFFAOYSA-N
Mol Weight 396.89 g/mol
Molecular Formula C21H17ClN2O2S
Exact Mass 396.069927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ILlrdTUIZPh
Name [4-Chloro-2-(toluene-4-sulfonylmethyl)-phenyl]-phenyl-carbodiimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2O2S
InChI InChI=1S/C21H17ClN2O2S/c1-16-7-10-20(11-8-16)27(25,26)14-17-13-18(22)9-12-21(17)24-15-23-19-5-3-2-4-6-19/h2-13H,14H2,1H3
InChIKey JKYCEVRHOLXKOG-UHFFFAOYSA-N
Molecular Weight 396.892 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)c1c(N=C=Nc2ccccc2)ccc(c1)Cl
SPLASH splash10-0a4l-0091000000-98813d06bc8397f47300
Source of Spectrum SO-0-989-11
Synonyms N-(4-chloro-2-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-N'-phenylcarbodiimide N-[4-Chloro-2-(4-methylphenylsulfonyl)phenyl]-N'-phenylcarbodiimide
Wiley ID 875622