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3-(4-Methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
SpectraBase Compound ID B53HrfYe4yK
InChI InChI=1S/C17H16O5S/c1-12-7-9-14(10-8-12)23(21,22)15(11-16(18)19)17(20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKey ZQRZITCYCVAGQG-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C17H16O5S
Exact Mass 332.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kpv6U5ZMcyU
Name 3-(4-Methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
Alternate Name(s) 4-keto-4-phenyl-3-tosyl-butyric acid 4-Oxo-4-phenyl-3-(p-tolylsulfonyl)butanoic acid
CAS Registry Number 124455-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5S
InChI InChI=1S/C17H16O5S/c1-12-7-9-14(10-8-12)23(21,22)15(11-16(18)19)17(20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKey ZQRZITCYCVAGQG-UHFFFAOYSA-N
Molecular Weight 332.370 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)C(=O)c1ccccc1)=O
SPLASH splash10-0a4i-6900000000-096bb1d4208c5343e02b
Source of Spectrum J-59-3207-12
Wiley ID 1329244