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3-Methyl-bicyclo(2.2.2)octan-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID 1Gavp5SEz13
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKey RMZQBMVYJTYCBD-PRJMDXOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2S17k1e7eF
Name 3-METHYLBICYCLO-[2.2.2]-OCTAN-2-ONE
CAS Registry Number 26051-25-2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t6-,7-,8+/m1/s1
InChIKey RMZQBMVYJTYCBD-PRJMDXOYSA-N
Literature Reference Author J.K.CRANDALL,M.A.CENTENO,S.BORRESEN
Literature Reference Citation J.ORG.CHEM.,44,1184(1979)
Literature Reference DOI 10.1021/jo01321a043
Solvent DIOXANE
Source File Reference UNIO740