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2-Cyclohexene-1-acetonitrile, .alpha.-[(4-methylphenyl)sulfonyl]-, (R*,R*)-
SpectraBase Compound ID IliYPYlHWJd
InChI InChI=1S/C15H17NO2S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h3,5,7-10,13,15H,2,4,6H2,1H3
InChIKey QXTDMJCPOVGHME-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C15H17NO2S
Exact Mass 275.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdYh8MNG7Y2
Name 2-Cyclohexene-1-acetonitrile, .alpha.-[(4-methylphenyl)sulfonyl]-, (R*,R*)-
Alternate Name(s) 2-cyclohexen-1-yl[(4-methylphenyl)sulfonyl]acetonitrile 2-Cyclohexene-1-acetonitrile, .alpha.-[(4-methylphenyl)sulfonyl]-,
CAS Registry Number 112778-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2S
InChI InChI=1S/C15H17NO2S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h3,5,7-10,13,15H,2,4,6H2,1H3
InChIKey QXTDMJCPOVGHME-UHFFFAOYSA-N
Molecular Weight 275.366 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C#N)C1C=CCCC1
SPLASH splash10-00do-6900000000-2d2a9ce4f4472bbe2068
Source of Spectrum AJ-60-1526-10
Wiley ID 1279034