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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K34pbGzqvAk
Name 2-Methylcyclohexanone
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00148
Molecular Weight 112.172 g/mol
SMILES CC1C(CCCC1)=O
SPLASH splash10-05mo-9000000000-4bf0e401763e8020b265
Source of Spectrum JOC-86-SM65-3(3)
Wiley ID 1867759