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1,5,5-Trichloro-2-oxo-cyclohexane-1-carboxylic acid, methyl ester
SpectraBase Compound ID AYt2uUeJh9R
InChI InChI=1S/C8H9Cl3O3/c1-14-6(13)8(11)4-7(9,10)3-2-5(8)12/h2-4H2,1H3
InChIKey XIXRORJFQRZVMR-UHFFFAOYSA-N
Mol Weight 259.52 g/mol
Molecular Formula C8H9Cl3O3
Exact Mass 257.961727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MLTjettKqR
Name 1,5,5-Trichloro-2-oxo-cyclohexane-1-carboxylic acid, methyl ester
Comments VARIAN EM-390 OR XL-300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9Cl3O3
InChI InChI=1S/C8H9Cl3O3/c1-14-6(13)8(11)4-7(9,10)3-2-5(8)12/h2-4H2,1H3
InChIKey XIXRORJFQRZVMR-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference B.B. Snider, J.J. Patricia, J. Org. Chem. 54, 38 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported