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2-Methyl-3-thioxo-butyric acid, ethyl ester
SpectraBase Compound ID rlYBos7fHb
InChI InChI=1S/C7H12O2S/c1-4-9-7(8)5(2)6(3)10/h10H,4H2,1-3H3/b6-5-
InChIKey AENMTNBUKWQNAV-WAYWQWQTSA-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 KHRrsISWUmS
Name 2-Methyl-3-thioxo-butyric acid, ethyl ester
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-4-9-7(8)5(2)6(3)10/h10H,4H2,1-3H3/b6-5-
InChIKey AENMTNBUKWQNAV-WAYWQWQTSA-N
Instrument Name Bruker HX-270
Literature Reference F. Duns, P.E. Hansen, Org. Magn. Resonance 22, 16 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3