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Benzene, 1-[(3-heptyl-1,2-undecadienyl)sulfonyl]-4-methyl-
SpectraBase Compound ID 8SlvzZIhCB6
InChI InChI=1S/C25H40O2S/c1-4-6-8-10-12-14-16-24(15-13-11-9-7-5-2)21-22-28(26,27)25-19-17-23(3)18-20-25/h17-20,22H,4-16H2,1-3H3
InChIKey YYFHEQWIXRHKHD-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C25H40O2S
Exact Mass 404.274902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40SH9TbsBP0
Name Benzene, 1-[(3-heptyl-1,2-undecadienyl)sulfonyl]-4-methyl-
CAS Registry Number 122471-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2S
InChI InChI=1S/C25H40O2S/c1-4-6-8-10-12-14-16-24(15-13-11-9-7-5-2)21-22-28(26,27)25-19-17-23(3)18-20-25/h17-20,22H,4-16H2,1-3H3
InChIKey YYFHEQWIXRHKHD-UHFFFAOYSA-N
Molecular Weight 404.653 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)=C=C(CCCCCCC)CCCCCCCC
SPLASH splash10-0536-9000000000-1ea2488c1ec6cffc21c2
Source of Spectrum J-54-4152-1
Synonyms 1-(p-tolylsulfonyl)-3-heptylundeca-1,2-diene 1-[(3-heptyl-1,2-undecadienyl)sulfonyl]-4-methylbenzene 3-Heptyl-1,2-undecadienyl 4-methylphenyl sulfone
Wiley ID 1371494