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2,4,4,6-Tetrachloro-2-methyl-hexanoic acid, methyl ester
SpectraBase Compound ID DcUAT8XmZrK
InChI InChI=1S/C8H12Cl4O2/c1-7(10,6(13)14-2)5-8(11,12)3-4-9/h3-5H2,1-2H3
InChIKey WQSLXKUTBJSDEI-UHFFFAOYSA-N
Mol Weight 282.0 g/mol
Molecular Formula C8H12Cl4O2
Exact Mass 279.95914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtDhny5qlJS
Name 2,4,4,6-Tetrachloro-2-methyl-hexanoic acid, methyl ester
CAS Registry Number 49642-22-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12Cl4O2
InChI InChI=1S/C8H12Cl4O2/c1-7(10,6(13)14-2)5-8(11,12)3-4-9/h3-5H2,1-2H3
InChIKey WQSLXKUTBJSDEI-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference F.K. Velichko, E.C. Chukovskaya, Org. Magn. Resonance 7, 361 (1975).
NMR Standard CHCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid