Chem
J-GLOBAL ID：200907023734922005
Nikkaji number：J1.582.960E
4-Methyl-6-heptyne-3-one
4-メチル-6-ヘプチン-3-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： C8H12O
Molecular formula furigana： C8-H12-O
Molecular weight： 124.183
InChI：
InChI=1S/C8H12O/c1-4-6-7(3)8(9)5-2/h1,7H,5-6H2,2-3H3
InChI key：
JIDSGTCATUGQMQ-UHFFFAOYSA-N
SMILES：
CCC(=O)C(C)CC#C
Systematic name (3)：
- 4-メチル-6-ヘプチン-3-オン
- 4-メチルヘプタ-6-イン-3-オン
- 4-methylhept-6-yn-3-one
- 4-Methyl-6-heptyne-3-one
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