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1-Cyclopentene-1-carboxylic acid, 2,3-dimethyl-5-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID 2jOctNpPfN6
InChI InChI=1S/C9H12O3/c1-5-4-7(10)8(6(5)2)9(11)12-3/h5H,4H2,1-3H3
InChIKey ZRSNKRCKILWPHW-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEf6VD4ztRt
Name 2,3-Dimethyl-5-oxo-cyclopent-1-ene-carboxylic acid, methyl ester
CAS Registry Number 128350-64-1
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-4-7(10)8(6(5)2)9(11)12-3/h5H,4H2,1-3H3
InChIKey ZRSNKRCKILWPHW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R. Baker, D.L. Selwood, C.J.Swain, J. Chem. Soc. Perkin I 471 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3