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2-Thiobutyryl-malonic acid, diethyl ester
SpectraBase Compound ID LCXkQaVjl05
InChI InChI=1S/C11H18O4S/c1-4-7-8(16)9(10(12)14-5-2)11(13)15-6-3/h16H,4-7H2,1-3H3
InChIKey NYDAWYQIJIQOCV-UHFFFAOYSA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cSpy5EgIQE
Name 2-Thiobutyryl-malonic acid, diethyl ester
CAS Registry Number 89745-59-5
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-4-7-8(16)9(10(12)14-5-2)11(13)15-6-3/h16H,4-7H2,1-3H3
InChIKey NYDAWYQIJIQOCV-UHFFFAOYSA-N
Instrument Name Bruker HX-270
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