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methyl 3,5-dichlorohexanoate
SpectraBase Compound ID 5besNXgJ4Ty
InChI InChI=1S/C7H12Cl2O2/c1-5(8)3-6(9)4-7(10)11-2/h5-6H,3-4H2,1-2H3
InChIKey ASHNRXQHRXWJKK-UHFFFAOYSA-N
Mol Weight 199.08 g/mol
Molecular Formula C7H12Cl2O2
Exact Mass 198.021435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XS3k8fQIF6
Name 3,5-Dichloro-hexanoic acid, methyl ester
CAS Registry Number 82498-88-2
Comments ERYTHRO AND THREO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12Cl2O2
InChI InChI=1S/C7H12Cl2O2/c1-5(8)3-6(9)4-7(10)11-2/h5-6H,3-4H2,1-2H3
InChIKey ASHNRXQHRXWJKK-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference M. Pitkanen, Org. Magn. Resonance 18, 165 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4