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4-Chloro2-methyl-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
SpectraBase Compound ID Dkfpi6Ejs6N
InChI InChI=1S/C24H22ClNOS/c1-18-13-15-22(16-14-18)28(27)23(25)24(19(2)17-26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,23H,1-2H3
InChIKey JGYVJNDPXFJLFZ-UHFFFAOYSA-N
Mol Weight 407.96 g/mol
Molecular Formula C24H22ClNOS
Exact Mass 407.111063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlIKeLTncu
Name 4-Chloro2-methyl-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
Alternate Name(s) 4-Chloro-2-methyl-4-[(4-methylphenyl)sulfinyl]-3,3-diphenylbutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22ClNOS
InChI InChI=1S/C24H22ClNOS/c1-18-13-15-22(16-14-18)28(27)23(25)24(19(2)17-26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,23H,1-2H3
InChIKey JGYVJNDPXFJLFZ-UHFFFAOYSA-N
Molecular Weight 407.959 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(C(C#N)C)(c1ccccc1)c1ccccc1)Cl
SPLASH splash10-0400-0390000000-4ec2ab16d4aa0ed0132f
Source of Spectrum F-56-5120-34
Wiley ID 857683