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5-Heptenoic acid, 6-methyl-4-[(4-methylphenyl) sulfonyl]
SpectraBase Compound ID DaSO68jU4HB
InChI InChI=1S/C15H20O4S/c1-11(2)10-14(8-9-15(16)17)20(18,19)13-6-4-12(3)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)
InChIKey GNUJBHSRHSEOAC-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4CQi6WF0HH
Name 5-Heptenoic acid, 6-methyl-4-[(4-methylphenyl) sulfonyl]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-11(2)10-14(8-9-15(16)17)20(18,19)13-6-4-12(3)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)
InChIKey GNUJBHSRHSEOAC-UHFFFAOYSA-N
Molecular Weight 296.381 g/mol
SMILES OC(CCC(S(=O)(=O)c1ccc(cc1)C)C=C(C)C)=O
SPLASH splash10-0006-9400000000-1539847e70addbe1a16e
Synonyms 6-Methyl-4-(4-methylphenyl)sulfonyl-5-heptenoic acid 6-Methyl-4-(4-methylphenyl)sulfonyl-hept-5-enoic acid 6-Methyl-4-(p-tolylsulfonyl)hept-5-enoic acid 6-Methyl-4-tosyl-hept-5-enoic acid
Wiley ID 1478206