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2-Methylcyclohexanone

View entire compound with spectra: 93 NMR, 7 FTIR, 1 Raman, 27 MS (GC), and 2 Near IR

2-Methylcyclohexanone
SpectraBase Compound ID H3YZXTLJ6mG
InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey LFSAPCRASZRSKS-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 5vvtBFJVFB0
Name 2-METHYLCYCLOHEXANONE
CAS Registry Number 583-60-8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey LFSAPCRASZRSKS-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 UNIW10175