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4-Chloro-N-[phenyl(cyano)methylene]-2-(4-methylphenylsulfonyl)methylaniline
SpectraBase Compound ID 1xOKsqng03h
InChI InChI=1S/C22H17ClN2O2S/c1-16-7-10-20(11-8-16)28(26,27)15-18-13-19(23)9-12-21(18)25-22(14-24)17-5-3-2-4-6-17/h2-13H,15H2,1H3/b25-22-
InChIKey KRFUZWKVOLELAX-LVWGJNHUSA-N
Mol Weight 408.9 g/mol
Molecular Formula C22H17ClN2O2S
Exact Mass 408.069927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEMObPS1Bxe
Name 4-Chloro-N-[phenyl(cyano)methylene]-2-(4-methylphenylsulfonyl)methylaniline
Alternate Name(s) (2E)-[(4-chloro-2-{[(4-methylphenyl)sulfonyl]methyl}phenyl)imino](phenyl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClN2O2S
InChI InChI=1S/C22H17ClN2O2S/c1-16-7-10-20(11-8-16)28(26,27)15-18-13-19(23)9-12-21(18)25-22(14-24)17-5-3-2-4-6-17/h2-13H,15H2,1H3/b25-22-
InChIKey KRFUZWKVOLELAX-LVWGJNHUSA-N
Molecular Weight 408.903 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)c1c(\N=C\(C#N)c2ccccc2)ccc(c1)Cl
SPLASH splash10-0udi-0190100000-2b435d84b9cb5694d66c
Source of Spectrum SO-0-988-6
Wiley ID 875632