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3-(4-Methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xLMihVNDB5
Name 4-Oxo-4-phenyl-3-tosyl-butyric acid
Comments BRUKER AC-300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name see comment
Literature Reference C. Najera, M. Yus, J. Chem. Soc. Perkin I 1387 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3