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5-Methyl-7-oxo-6-oxa-bicyclo(3.2.2)nonane-1-carboxylic acid, ethyl ester
SpectraBase Compound ID 55aE1XnpohY
InChI InChI=1S/C12H18O4/c1-3-15-9(13)12-6-4-5-11(2,7-8-12)16-10(12)14/h3-8H2,1-2H3
InChIKey XOZPBQSJGLTSDQ-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOPmlTZhHwK
Name 5-Methyl-7-oxo-6-oxa-bicyclo(3.2.2)nonane-1-carboxylic acid, ethyl ester
CAS Registry Number 85696-88-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-9(13)12-6-4-5-11(2,7-8-12)16-10(12)14/h3-8H2,1-2H3
InChIKey XOZPBQSJGLTSDQ-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference E.H. Evans, A.T. Hewson, L.A.March, J. Chem. Soc. Perkin I 137 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3