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5,5-Dimethyl-2-oxo-3-(2-phenyl-ethyl)-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID I6SrKQkjHF5
InChI InChI=1S/C17H22O3/c1-17(2)11-13(15(18)14(17)16(19)20-3)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKey LMPLXZDQFGRJCD-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9bdYKn1zT0
Name 5,5-Dimethyl-2-oxo-3-(2-phenyl-ethyl)-cyclopentanecarboxylic acid, methyl ester
CAS Registry Number 104620-24-8
Comments ISOMER 2 LOW FIELD SHIFTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-17(2)11-13(15(18)14(17)16(19)20-3)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKey LMPLXZDQFGRJCD-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