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Cyclohexaneacetonitrile, 2-methyl-.alpha.-(methylphenylamino)-6-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 7hDKRXKNujj
InChI InChI=1S/C23H28N2O2S/c1-17-12-14-20(15-13-17)28(26,27)22-11-7-8-18(2)23(22)21(16-24)25(3)19-9-5-4-6-10-19/h4-6,9-10,12-15,18,21-23H,7-8,11H2,1-3H3
InChIKey KTIGASZTLDZSQO-UHFFFAOYSA-N
Mol Weight 396.55 g/mol
Molecular Formula C23H28N2O2S
Exact Mass 396.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGKR6AszXex
Name Cyclohexaneacetonitrile, 2-methyl-.alpha.-(methylphenylamino)-6-[(4-methylphenyl)sulfonyl]-
Alternate Name(s) (methylanilino){2-methyl-6-[(4-methylphenyl)sulfonyl]cyclohexyl}acetonitrile 2-N-methylanilino-2-(2-methyl-6-p-tolylsulphonylcyclohexyl)acetonitrile
CAS Registry Number 117909-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O2S
InChI InChI=1S/C23H28N2O2S/c1-17-12-14-20(15-13-17)28(26,27)22-11-7-8-18(2)23(22)21(16-24)25(3)19-9-5-4-6-10-19/h4-6,9-10,12-15,18,21-23H,7-8,11H2,1-3H3
InChIKey KTIGASZTLDZSQO-UHFFFAOYSA-N
Molecular Weight 396.549 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)C(C(N(c2ccccc2)C)C#N)C(C)CCC1
SPLASH splash10-0002-1903000000-b3f6144738302b455c72
Source of Spectrum KC-1988-1948-21
Wiley ID 1367529