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2,2,3,4,4-PENTACHLOR-3-BUTENSAEUREMETHYLESTER
SpectraBase Compound ID Cy38X4oQAy3
InChI InChI=1S/C5H3Cl5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
InChIKey VGCYOYZZWOOTLW-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C5H3Cl5O2
Exact Mass 269.857568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QCOXtCqqzD
Name Pentachloro-3-butenoic acid, methyl ester
CAS Registry Number 24725-50-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H3Cl5O2
InChI InChI=1S/C5H3Cl5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
InChIKey VGCYOYZZWOOTLW-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference W. Kimpenhaus, W. Auf Der Heyde, Liebigs Ann. Chem. 378 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6