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4,4,6-Trichloro-hexanoic acid, methyl ester
SpectraBase Compound ID AbVCcC197ji
InChI InChI=1S/C7H11Cl3O2/c1-12-6(11)2-3-7(9,10)4-5-8/h2-5H2,1H3
InChIKey LDVMBRBFBYCQKU-UHFFFAOYSA-N
Mol Weight 233.52 g/mol
Molecular Formula C7H11Cl3O2
Exact Mass 231.982463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYRHCsPsnVd
Name 4,4,6-Trichloro-hexanoic acid, methyl ester
CAS Registry Number 49642-19-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-12-6(11)2-3-7(9,10)4-5-8/h2-5H2,1H3
InChIKey LDVMBRBFBYCQKU-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