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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 InGIZyZtLbf
Name THIONOMALONIC-ACID,DIETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author R.RADEGLIA,S.SCHEITHAUER
Literature Reference Citation Z.CHEM.,14,20(1974)
Literature Reference DOI 10.1002/zfch.19740140112
Molecular Weight 176.230 g/mol
Solvent CDCl3
Source File Reference UNIW11605