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(E)-3-(4-methylphenyl)sulfonyl-6-phenyl-5-hexenoic acid
SpectraBase Compound ID HmBtOofta9e
InChI InChI=1S/C19H20O4S/c1-15-10-12-17(13-11-15)24(22,23)18(14-19(20)21)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9,14H2,1H3,(H,20,21)/b8-5+
InChIKey SGGGVYTYSOINEK-VMPITWQZSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYnXrlNTj7p
Name (E)-3-(4-methylphenyl)sulfonyl-6-phenyl-5-hexenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-15-10-12-17(13-11-15)24(22,23)18(14-19(20)21)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9,14H2,1H3,(H,20,21)/b8-5+
InChIKey SGGGVYTYSOINEK-VMPITWQZSA-N
Molecular Weight 344.425 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)C\C=C\c1ccccc1)=O
SPLASH splash10-004i-1900000000-2dd7471bb2424c37bb0f
Source of Spectrum J-59-3207-12
Synonyms (E)-3-(4-methylphenyl)sulfonyl-6-phenyl-hex-5-enoic acid (E)-6-phenyl-3-(p-tolylsulfonyl)hex-5-enoic acid (E)-6-phenyl-3-tosyl-hex-5-enoic acid
Wiley ID 1337878