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2-Octenenitrile, 4-methyl-2-(methylphenylamino)-8-[(4-methylphenyl)sulfonyl]-, (Z)-
SpectraBase Compound ID 5oTSSqb2cst
InChI InChI=1S/C23H28N2O2S/c1-19-12-14-23(15-13-19)28(26,27)16-8-7-9-20(2)17-22(18-24)25(3)21-10-5-4-6-11-21/h4-6,10-15,17,20H,7-9,16H2,1-3H3/b22-17+
InChIKey WPYRQSVZYOELDS-OQKWZONESA-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 Hk7mYwXSTsK
Name 2-Octenenitrile, 4-methyl-2-(methylphenylamino)-8-[(4-methylphenyl)sulfonyl]-, (Z)-
Alternate Name(s) (2E)-4-methyl-2-(methylanilino)-8-[(4-methylphenyl)sulfonyl]-2-octenenitrile 1-Cyano-1-(n-phenyl-N-methylamino)-3-methyl-7-tosyl-1-heptene
CAS Registry Number 117909-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O2S
InChI InChI=1S/C23H28N2O2S/c1-19-12-14-23(15-13-19)28(26,27)16-8-7-9-20(2)17-22(18-24)25(3)21-10-5-4-6-11-21/h4-6,10-15,17,20H,7-9,16H2,1-3H3/b22-17+
InChIKey WPYRQSVZYOELDS-OQKWZONESA-N
Molecular Weight 396.549 g/mol
SMILES c1(S(=O)(=O)CCCCC(\C=C/(N(c2ccccc2)C)C#N)C)ccc(cc1)C
SPLASH splash10-000m-1965000000-208b8dffe114bf567d28
Source of Spectrum KC-1988-1948-20
Wiley ID 1367528