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(E)-5-(4-methylphenyl)sulfonyl-4-pentenoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-5-(4-methylphenyl)sulfonyl-4-pentenoic acid
SpectraBase Compound ID FGSW0g3KAAk
InChI InChI=1S/C12H14O4S/c1-10-5-7-11(8-6-10)17(15,16)9-3-2-4-12(13)14/h3,5-9H,2,4H2,1H3,(H,13,14)/b9-3+
InChIKey LCRZIPNDBCXDCV-YCRREMRBSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAHyWBHXwB8
Name (E)-5-(4-methylphenyl)sulfonyl-4-pentenoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-10-5-7-11(8-6-10)17(15,16)9-3-2-4-12(13)14/h3,5-9H,2,4H2,1H3,(H,13,14)/b9-3+
InChIKey LCRZIPNDBCXDCV-YCRREMRBSA-N
Molecular Weight 254.300 g/mol
SMILES OC(CC\C=C\S(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-0006-9000000000-e63fe626b27cbee62d72
Source of Spectrum F-54-11262-13
Synonyms (E)-5-(4-methylphenyl)sulfonylpent-4-enoic acid (E)-5-(p-tolylsulfonyl)pent-4-enoic acid (E)-5-tosylpent-4-enoic acid
Wiley ID 808978