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2-Methylcyclohexanone

View entire compound with spectra: 93 NMR, 7 FTIR, 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 LW7BIUoFL5J
Name 2-Methylcyclohexanone
CAS Registry Number 583-60-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-100
Literature Reference D.A. Lightner, T.D. Bouman, B.V.Crist, J. Am. Chem. Soc. 109, 6248 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3