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1-Chloro-3,6-dicyano-2,2-diphenyl-1-(p-tolylsulfinyl)hexane
SpectraBase Compound ID GKZFRRE3Qvz
InChI InChI=1S/C27H25ClN2OS/c1-21-15-17-25(18-16-21)32(31)26(28)27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(20-30)14-8-9-19-29/h2-7,10-13,15-18,24,26H,8-9,14H2,1H3
InChIKey PBRDPLJVBIYDJB-UHFFFAOYSA-N
Mol Weight 461.02 g/mol
Molecular Formula C27H25ClN2OS
Exact Mass 460.137612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qflrfjvBeL
Name 1-Chloro-3,6-dicyano-2,2-diphenyl-1-(p-tolylsulfinyl)hexane
Alternate Name(s) 2-{2-chloro-2-[(4-methylphenyl)sulfinyl]-1,1-diphenylethyl}hexanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25ClN2OS
InChI InChI=1S/C27H25ClN2OS/c1-21-15-17-25(18-16-21)32(31)26(28)27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(20-30)14-8-9-19-29/h2-7,10-13,15-18,24,26H,8-9,14H2,1H3
InChIKey PBRDPLJVBIYDJB-UHFFFAOYSA-N
Molecular Weight 461.023 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(C(C#N)CCCC#N)(c1ccccc1)c1ccccc1)Cl
SPLASH splash10-00di-0797000000-1edbe915585011cfb5b1
Source of Spectrum F-56-5120-36
Wiley ID 857681