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2-Methyl[18O]cyclohexanone
SpectraBase Compound ID IsboIuaiMrQ
InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3/i8+2
InChIKey LFSAPCRASZRSKS-PPJXEINESA-N
Mol Weight 114.17 g/mol
Molecular Formula C7H1218O
Exact Mass 114.09306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nfpz7O4m65
Name 2-Methyl[18O]cyclohexanone
Comments Less than 3 mono-isotopic peaks; Original formula: C7H12[18O]
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Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3/i8+2
InChIKey LFSAPCRASZRSKS-PPJXEINESA-N
Molecular Weight 114.172 g/mol
SMILES C1(=[18O])C(C)CCCC1
SPLASH splash10-02t9-9800000000-11e982fcfdc912db7371
Source of Spectrum QF-8-4716-0
Wiley ID 1558005