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4-Chloro-N-[4-methylphenyl(cyano)methylene]-2-(phenylsulfonyl)methylaniline
SpectraBase Compound ID GBZlxSN3e1H
InChI InChI=1S/C22H17ClN2O2S/c1-16-7-9-17(10-8-16)22(14-24)25-21-12-11-19(23)13-18(21)15-28(26,27)20-5-3-2-4-6-20/h2-13H,15H2,1H3/b25-22-
InChIKey XNNYHACPDWAATG-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 2QSiXxCpOLS
Name 4-Chloro-N-[4-methylphenyl(cyano)methylene]-2-(phenylsulfonyl)methylaniline
Alternate Name(s) (2E)-({4-chloro-2-[(phenylsulfonyl)methyl]phenyl}imino)(4-methylphenyl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClN2O2S
InChI InChI=1S/C22H17ClN2O2S/c1-16-7-9-17(10-8-16)22(14-24)25-21-12-11-19(23)13-18(21)15-28(26,27)20-5-3-2-4-6-20/h2-13H,15H2,1H3/b25-22-
InChIKey XNNYHACPDWAATG-LVWGJNHUSA-N
Molecular Weight 408.903 g/mol
SMILES C(S(=O)(=O)c1ccccc1)c1c(\N=C\(C#N)c2ccc(cc2)C)ccc(c1)Cl
SPLASH splash10-014i-0190100000-d30c3293f940ed91b74d
Source of Spectrum SO-0-988-6
Wiley ID 875633