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1-Methylcyclohexanol
SpectraBase Compound ID JpezHPaYfOF
InChI InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKey VTBOTOBFGSVRMA-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrGJaVdPJxw
Name 1-Methylcyclohexanol (trideuterated)
CAS Registry Number 590-67-0
Comments Note: The molecular formula of the structure shown is C7H14O - which differs from the formula reported for the mass spectrum (C7H11D3O)
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Formula C7H11D3O
InChI InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKey VTBOTOBFGSVRMA-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES OC1(CCCCC1)C
SPLASH splash10-00di-9000000000-89a4729485641b3c6aea
Synonyms 1-Methyl-1-cyclohexanol (trideuterated)
Wiley ID 1482978