Chem
J-GLOBAL ID：201207028086785410
Nikkaji number：J2.996.836E
1-Phenyl-5,5-dimethyl-1-hexyne
1-フェニル-5,5-ジメチル-1-ヘキシン
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： C14H18
Molecular formula furigana： C14-H18
Molecular weight： 186.298
InChI：
InChI=1S/C14H18/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,8,12H2,1-3H3
InChI key：
QRMCJGFBXLMKHI-UHFFFAOYSA-N
SMILES：
CC(C)(C)CCC#Cc1ccccc1
Systematic name (3)：
- 1-フェニル-5,5-ジメチル-1-ヘキシン
- (5,5-ジメチルヘキサ-1-イン-1-イル)ベンゼン
- (5,5-dimethylhex-1-yn-1-yl)benzene
- 1-Phenyl-5,5-dimethyl-1-hexyne
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