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3-Thioxo-butyric acid, isopropyl ester
SpectraBase Compound ID EwTkor9EySD
InChI InChI=1S/C7H12O2S/c1-5(2)9-7(8)4-6(3)10/h4-5,10H,1-3H3/b6-4-
InChIKey BYENIHYHDJAOCI-XQRVVYSFSA-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 KDqxXm13p7Z
Name 3-Thioxo-butyric acid, isopropyl ester
CAS Registry Number 40553-11-5
Comments (Z)-ENETHIOL FORM, C2 OF (E) FORM AT 114.3 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-5(2)9-7(8)4-6(3)10/h4-5,10H,1-3H3/b6-4-
InChIKey BYENIHYHDJAOCI-XQRVVYSFSA-N
Instrument Name Jeol FX-90
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