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2-(Pentachloro-butadienyl)-2-methyl-malonic acid, diethyl ester
SpectraBase Compound ID DGnPb3RmUiQ
InChI InChI=1S/C12H13Cl5O4/c1-4-20-10(18)12(3,11(19)21-5-2)8(15)6(13)7(14)9(16)17/h4-5H2,1-3H3/b8-6+
InChIKey DVPKJFQXZGWPNT-SOFGYWHQSA-N
Mol Weight 398.5 g/mol
Molecular Formula C12H13Cl5O4
Exact Mass 395.925647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZqVOc3zXka
Name 2-(Pentachloro-butadienyl)-2-methyl-malonic acid, diethyl ester
CAS Registry Number 77958-43-1
Comments SHIFTCORRECTION: +0.7 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13Cl5O4
InChI InChI=1S/C12H13Cl5O4/c1-4-20-10(18)12(3,11(19)21-5-2)8(15)6(13)7(14)9(16)17/h4-5H2,1-3H3/b8-6+
InChIKey DVPKJFQXZGWPNT-SOFGYWHQSA-N
Literature Reference A.S. Kende, P. Fludzinski, J.H.Hill, J. Am. Chem. Soc. 103, 2904 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3