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(+)-3-methylcyclohexanone

View entire compound with spectra: 70 NMR, 7 FTIR, 18 MS (GC), and 4 Near IR

(+)-3-methylcyclohexanone
SpectraBase Compound ID JOBDELGQoNV
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-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 KIzaCfxd1Yy
Name 3-METHYLCYCLOHEXANONE
CAS Registry Number 591-24-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-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 UNIW10176