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2-Nonanone
SpectraBase Compound ID C5jMYNFpxpO
InChI InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey VKCYHJWLYTUGCC-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0rH56fsIO8
Name 2-Nonanone (D3)
Alternate Name(s) .beta.-Nonanone (D3) Heptyl methyl ketone (D3) Ketone, heptyl methyl (D3) Methyl heptyl ketone (D3) Methyl n-heptyl ketone (D3) Nonan-2-one (D3)
CAS Registry Number 108-80-5
Comments Note: The molecular formula of the structure shown is C9H18O - which differs from the formula reported for the mass spectrum (C9H15D3O)
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Formula C9H15D3O
InChI InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey VKCYHJWLYTUGCC-UHFFFAOYSA-N
Molecular Weight 142.242 g/mol
SMILES CCCCCCCC(=O)C
SPLASH splash10-03dj-9000000000-7cc307a075886da7e725
Wiley ID 1485916