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2-Thioacetyl-malonic acid, diethyl ester
SpectraBase Compound ID DBukHzPZZ06
InChI InChI=1S/C9H14O4S/c1-4-12-8(10)7(6(3)14)9(11)13-5-2/h14H,4-5H2,1-3H3
InChIKey QAEIOKLZQTVGMP-UHFFFAOYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C9H14O4S
Exact Mass 218.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BGFUd7LPOD
Name 2-Thioacetyl-malonic acid, diethyl ester
CAS Registry Number 20621-66-3
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O4S
InChI InChI=1S/C9H14O4S/c1-4-12-8(10)7(6(3)14)9(11)13-5-2/h14H,4-5H2,1-3H3
InChIKey QAEIOKLZQTVGMP-UHFFFAOYSA-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