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2-Methyl-4-phenyl-3-(p-tolylsulfonyl)butanoic acid

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

2-Methyl-4-phenyl-3-(p-tolylsulfonyl)butanoic acid
SpectraBase Compound ID 5WjOlFmrD26
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)17(14(2)18(19)20)12-15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3,(H,19,20)
InChIKey RCVAREMCIXHERE-UHFFFAOYSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMvCdwRnWda
Name 2-Methyl-4-phenyl-3-(p-tolylsulfonyl)butanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)17(14(2)18(19)20)12-15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3,(H,19,20)
InChIKey RCVAREMCIXHERE-UHFFFAOYSA-N
Molecular Weight 332.414 g/mol
SMILES OC(C(C(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)C)=O
SPLASH splash10-0036-7900000000-4553ba75ef0cdad1093a
Source of Spectrum J-59-3207-12
Synonyms 2-Methyl-4-phenyl-3-tosyl-butyric acid 2-Methyl-3-(4-methylphenyl)sulfonyl-4-phenylbutanoic acid
Wiley ID 1329335