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2-(2-Methyl-thiopropionyl)-malonic acid, diethylester
SpectraBase Compound ID IqFNwmf6dfC
InChI InChI=1S/C11H18O4S/c1-5-14-10(12)8(9(16)7(3)4)11(13)15-6-2/h7,16H,5-6H2,1-4H3
InChIKey MYXZIILRMJOMQV-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 6VIwtFAvh9U
Name 2-(2-Methyl-thiopropionyl)-malonic acid, diethylester
CAS Registry Number 89745-60-8
Comments (Z)-ENETHIOL FORM, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-5-14-10(12)8(9(16)7(3)4)11(13)15-6-2/h7,16H,5-6H2,1-4H3
InChIKey MYXZIILRMJOMQV-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