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5-Carboxy-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID INUwe84fovz
InChI InChI=1S/C9H12O3/c10-8-4-5-1-2-6(8)3-7(5)9(11)12/h5-7H,1-4H2,(H,11,12)
InChIKey VEIXZWOLIRWSDW-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 Ado7eYXtjHv
Name 5-Carboxy-bicyclo(2.2.2)octan-2-one
CAS Registry Number 49826-60-0
Comments C2 AND C3 SYN TO CARBOXYL SPECTRA OF METHYL ESTER REPORTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-8-4-5-1-2-6(8)3-7(5)9(11)12/h5-7H,1-4H2,(H,11,12)
InChIKey VEIXZWOLIRWSDW-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference P.J. Garratt, R. Riguera, J. Org. Chem. 41, 465 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3