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thiomalonic acid, O,O-diethyl ester

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thiomalonic acid, O,O-diethyl ester
SpectraBase Compound ID 658LM5kF2FW
InChI InChI=1S/C7H12O3S/c1-3-9-6(8)5-7(11)10-4-2/h3-5H2,1-2H3
InChIKey HQVBBXPKBIHTSO-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIKFBzXhdCk
Name Diethyl-thion-malonate
CAS Registry Number 16516-12-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-3-9-6(8)5-7(11)10-4-2/h3-5H2,1-2H3
InChIKey HQVBBXPKBIHTSO-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference R. Radeglia, S. Scheithauer, Z. Chem. 14, 20 (1974).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3