Chem
J-GLOBAL ID：200907090238354403
Nikkaji number：J2.290.613E
(1-2H)1-Heptyne
(1-2H)1-ヘプチン
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： C7H11[2H]
Molecular formula furigana： C7-H12
Molecular weight： 97.179
InChI：
InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3/i1D
InChI key：
YVXHZKKCZYLQOP-MICDWDOJSA-N
SMILES：
C(#CCCCCC)[2H]
Systematic name (4)：
- (1-2H)-1-ヘプチン
- (1-2H)1-ヘプチン
- (1-2H)ヘプタ-1-イン
- (1-2H)hept-1-yne
- (1-2H)-1-Heptyne
- (1-2H)1-Heptyne
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