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4-Hexenenitrile, 2-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID ZyVaMP63ck
InChI InChI=1S/C13H15NO2S/c1-3-4-5-13(10-14)17(15,16)12-8-6-11(2)7-9-12/h3-4,6-9,13H,5H2,1-2H3/b4-3+
InChIKey LJLMGSBPLUIMHR-ONEGZZNKSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8a2AQbTYtb9
Name 4-Hexenenitrile, 2-[(4-methylphenyl)sulfonyl]-
Alternate Name(s) (4E)-2-[(4-methylphenyl)sulfonyl]-4-hexenenitrile (E)-5-Cyano-5-(tolylsulfonyl)-2-pentene
CAS Registry Number 112778-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c1-3-4-5-13(10-14)17(15,16)12-8-6-11(2)7-9-12/h3-4,6-9,13H,5H2,1-2H3/b4-3+
InChIKey LJLMGSBPLUIMHR-ONEGZZNKSA-N
Molecular Weight 249.328 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C#N)C\C=C\C
SPLASH splash10-052f-9500000000-dd387a25258428896cf2
Source of Spectrum AJ-60-1526-7
Wiley ID 1252097