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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J69wn6RIjhf
Name 4-METHYLCYCLOHEXANONE
CAS Registry Number 589-92-4
Copyright Copyright © 2016-2025 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 F.J.WEIGERT,J.D.ROBERTS
Literature Reference Citation J.AM.CHEM.SOC.,92,1347(1970)
Literature Reference DOI 10.1021/ja00708a039
Molecular Weight 112.172 g/mol
Solvent DIOXANE
Source File Reference UNIW10177