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3-Methyl-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID AjfHdXxcIal
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3
InChIKey RMZQBMVYJTYCBD-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxoEgDClki2
Name 3-Methyl-bicyclo(2.2.2)octan-2-one
CAS Registry Number 26051-25-2
Comments C5 AND C6 SYN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3
InChIKey RMZQBMVYJTYCBD-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.B. Stothers, C.T.Tan, Can. J. Chem. 54, 917 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3