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4-Methylcyclohexanone

View entire compound with spectra: 68 NMR, 10 FTIR, 2 Raman, 15 MS (GC), and 2 Near IR

4-Methylcyclohexanone
SpectraBase Compound ID HVl1Dn1ecrQ
InChI InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey VGVHNLRUAMRIEW-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mxcWTkAvfI
Name 4-METHYLCYCLOHEXANONE
CAS Registry Number 589-92-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey VGVHNLRUAMRIEW-UHFFFAOYSA-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 UNIO715