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3-Methylcyclohexanone

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3-Methylcyclohexanone
SpectraBase Compound ID CpuscPM4GzL
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey UJBOOUHRTQVGRU-ZCFIWIBFSA-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 Aql3spqtiM3
Name 3-METHYLCYCLOHEXANONE
Compound Number 10
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/t6-/m1/s1
InChIKey UJBOOUHRTQVGRU-ZCFIWIBFSA-N
Literature Reference Author R.J.ABRAHAM,D.S.RIBEIRO
Literature Reference Citation J.CHEM.SOC.PERKIN-2,302(2001)
Literature Reference DOI 10.1039/b008712m
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWMZ23074