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(1E)-2-n-octyl-1-(p-tolylsulfonyl)-1,3-pentadiene
SpectraBase Compound ID IWqWAf2yrXk
InChI InChI=1S/C20H30O2S/c1-4-6-7-8-9-10-12-19(11-5-2)17-23(21,22)20-15-13-18(3)14-16-20/h5,11,13-17H,4,6-10,12H2,1-3H3/b11-5+,19-17-
InChIKey SXIVJKOHHXCGGJ-TUIKWSECSA-N
Mol Weight 334.52 g/mol
Molecular Formula C20H30O2S
Exact Mass 334.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yEGZV6dKnn
Name (1E)-2-n-octyl-1-(p-tolylsulfonyl)-1,3-pentadiene
Alternate Name(s) 1-Methyl-4-{[(1E,3E)-2-octyl-1,3-pentadienyl]sulfonyl}benzene 4-Methylphenyl (1E,3E)-2-octyl-1,3-pentadienyl sulfone
CAS Registry Number 108817-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2S
InChI InChI=1S/C20H30O2S/c1-4-6-7-8-9-10-12-19(11-5-2)17-23(21,22)20-15-13-18(3)14-16-20/h5,11,13-17H,4,6-10,12H2,1-3H3/b11-5+,19-17-
InChIKey SXIVJKOHHXCGGJ-TUIKWSECSA-N
Molecular Weight 334.518 g/mol
SMILES C\C=C\C(=C\S(c1ccc(cc1)C)(=O)=O)CCCCCCCC
SPLASH splash10-000x-9000000000-476e880a3460a6d4759a
Source of Spectrum J-52-4263-12
Wiley ID 1331063