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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 J6rnaN5C3JM
Name 4-Methylcyclohexanone
CAS Registry Number 589-92-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference M.F. Grenier-Loustalot, P. Iratcabal, Org. Magn. Resonance 8, 544 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3