Chem
J-GLOBAL ID：200907046283821994
Nikkaji number：J2.389.221I
(1,1,1-2H3)Octane-2-one
(1,1,1-2H3)オクタン-2-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C8H13[2H]3O
Molecular formula furigana： C8-H16-O
Molecular weight： 131.233
InChI：
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/i2D3
InChI key：
ZPVFWPFBNIEHGJ-BMSJAHLVSA-N
SMILES：
C([2H])([2H])([2H])C(=O)CCCCCC
Systematic name (2)：
- (1,1,1-2H3)オクタン-2-オン
- (1,1,1-2H3)octan-2-one
- (1,1,1-2H3)Octane-2-one
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