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5,5-Dimethyl-2-oxo-3-propyl-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID EHyhQ0I537B
InChI InChI=1S/C12H20O3/c1-5-6-8-7-12(2,3)9(10(8)13)11(14)15-4/h8-9H,5-7H2,1-4H3
InChIKey ZVCKOUNIHRKHJE-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ir9sfKfPuCL
Name 5,5-Dimethyl-2-oxo-3-propyl-cyclopentanecarboxylic acid, methyl ester
CAS Registry Number 104620-09-9
Comments ISOMER 2 LOW FIELD SHIFTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-6-8-7-12(2,3)9(10(8)13)11(14)15-4/h8-9H,5-7H2,1-4H3
InChIKey ZVCKOUNIHRKHJE-UHFFFAOYSA-N
Literature Reference D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported