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3,3-Dimethyl-2-oxo-thionobutyric acid, methyl ester
SpectraBase Compound ID 3vVwU2fgRTu
InChI InChI=1S/C7H12O2S/c1-7(2,3)5(8)6(10)9-4/h1-4H3
InChIKey BDAZBHYVXDPQKL-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9K7uVpip81z
Name 3,3-Dimethyl-2-oxo-thionobutyric acid, methyl ester
CAS Registry Number 74128-95-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-7(2,3)5(8)6(10)9-4/h1-4H3
InChIKey BDAZBHYVXDPQKL-UHFFFAOYSA-N
Literature Reference G. Adiwidjaja, H. Guenther, J. Voss, Angew. Chem. 92, 559 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported