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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YOtCL4OXL4
Name Cyclohexanone, 4-methyl-
CAS Registry Number 589-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 112.172 g/mol
SMILES CC1CCC(=O)CC1
SPLASH splash10-0a4i-9000000000-0e24e4368082ad5be246
Synonyms 4-Methyl-1-cyclohexanone 4-Methylcyclohexan-1-one 4-Methylcyclohexanone Methyl-4 cyclohexanone-1 p-Methyl cyclohexanone AI3-15916 BRN 0506746 EINECS 209-665-3 NSC 3816
Wiley ID 1501804