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3-Chloro-3-methyl-6-oxo-1-cyclohexene-1-carboxylic acid, methyl ester
SpectraBase Compound ID DvXRYDS6zIa
InChI InChI=1S/C9H11ClO3/c1-9(10)4-3-7(11)6(5-9)8(12)13-2/h5H,3-4H2,1-2H3
InChIKey OVYWAEHWFOWROF-UHFFFAOYSA-N
Mol Weight 202.64 g/mol
Molecular Formula C9H11ClO3
Exact Mass 202.039672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jd5iXBDvnjz
Name 3-Chloro-3-methyl-6-oxo-1-cyclohexene-1-carboxylic acid, methyl ester
Comments VARIAN EM-390 OR XL-300 SPECTROMETER|ASSIGNED 1/2 MGr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H11ClO3
InChI InChI=1S/C9H11ClO3/c1-9(10)4-3-7(11)6(5-9)8(12)13-2/h5H,3-4H2,1-2H3
InChIKey OVYWAEHWFOWROF-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