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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 HGG9WZxklgc
Name 2-methylcyclohexanone
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 Shimadzu GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014478
Molecular Weight 112.172 g/mol
SMILES C1C(C(CCC1)C)=O
SPLASH splash10-066u-9000000000-f0453ab88d6b826e994d
Source of Spectrum ACI-60-SM15-1o
Wiley ID 1880225