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4,4-Dimethyl-3-thioxo-pentanoic acid, ethyl ester
SpectraBase Compound ID 948OeSBKyAl
InChI InChI=1S/C9H16O2S/c1-5-11-8(10)6-7(12)9(2,3)4/h6,12H,5H2,1-4H3/b7-6-
InChIKey YFBONOVAEQBLEW-SREVYHEPSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8tOo6gJIzW
Name 4,4-Dimethyl-3-thioxo-pentanoic acid, ethyl ester
CAS Registry Number 40553-25-1
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-5-11-8(10)6-7(12)9(2,3)4/h6,12H,5H2,1-4H3/b7-6-
InChIKey YFBONOVAEQBLEW-SREVYHEPSA-N
Instrument Name Bruker WH-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