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Decanenitrile, 3-ethenyl-2-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 6beYx45OfAc
InChI InChI=1S/C19H27NO2S/c1-4-6-7-8-9-10-17(5-2)19(15-20)23(21,22)18-13-11-16(3)12-14-18/h5,11-14,17,19H,2,4,6-10H2,1,3H3
InChIKey XXDHDLVIPXXTSS-UHFFFAOYSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYqROCBqZlu
Name Decanenitrile, 3-ethenyl-2-[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 1-(tolylsulfonyl)-1-cyano-2-ethenyl-nonane 3-Heptyl-2-[(4-methylphenyl)sulfonyl]-4-pentenenitrile
CAS Registry Number 112778-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-4-6-7-8-9-10-17(5-2)19(15-20)23(21,22)18-13-11-16(3)12-14-18/h5,11-14,17,19H,2,4,6-10H2,1,3H3
InChIKey XXDHDLVIPXXTSS-UHFFFAOYSA-N
Molecular Weight 333.490 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C#N)C(C=C)CCCCCCC
SPLASH splash10-054o-5900000000-6d15a664e188cb7ff80e
Source of Spectrum AJ-60-1526-9
Wiley ID 1330275