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4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-
SpectraBase Compound ID JCxP1vOhKJV
InChI InChI=1S/C18H17NO2S/c1-15-10-12-17(13-11-15)22(20,21)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9H2,1H3/b8-5-
InChIKey XCKHNMBRPOXMOM-YVMONPNESA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCsajCATW3r
Name 4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-
Alternate Name(s) (4Z)-2-[(4-methylphenyl)sulfonyl]-5-phenyl-4-pentenenitrile (Z)-1-Phenyl-4-cyano-4-(tolylsulfonyl)-1-butene
CAS Registry Number 112778-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-15-10-12-17(13-11-15)22(20,21)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9H2,1H3/b8-5-
InChIKey XCKHNMBRPOXMOM-YVMONPNESA-N
Molecular Weight 311.399 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C#N)C\C=C/c1ccccc1
SPLASH splash10-0pxr-0900000000-e126f72f296d5feca04c
Source of Spectrum AJ-60-1526-8
Wiley ID 1312455