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3-METHYL-4,4,4-TRICHLOROBUTYRIC ACID, METHYL ESTER
SpectraBase Compound ID CK5ugHwNzzf
InChI InChI=1S/C6H9Cl3O2/c1-4(6(7,8)9)3-5(10)11-2/h4H,3H2,1-2H3
InChIKey DGWHQFSDXORUPU-UHFFFAOYSA-N
Mol Weight 219.49 g/mol
Molecular Formula C6H9Cl3O2
Exact Mass 217.966813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G572ejDuCx7
Name 4,4,4-Trichloro-3-methyl-butanoic acid, methyl ester
CAS Registry Number 20101-82-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-4(6(7,8)9)3-5(10)11-2/h4H,3H2,1-2H3
InChIKey DGWHQFSDXORUPU-UHFFFAOYSA-N
Literature Reference S.E. De Lazlo, P.G. Willard, J. Am. Chem. Soc. 107, 199 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3