Chem
J-GLOBAL ID：200907000025705297
Nikkaji number：J2.676.876D
1-Phenyl-4-methyl-2,3-hexadiene
1-フェニル-4-メチル-2,3-ヘキサジエン
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： C13H16
Molecular formula furigana： C13-H16
Molecular weight： 172.271
InChI：
InChI=1S/C13H16/c1-3-12(2)8-7-11-13-9-5-4-6-10-13/h4-7,9-10H,3,11H2,1-2H3
InChI key：
LLTDSRXWDMASAG-UHFFFAOYSA-N
SMILES：
CCC(=C=CCc1ccccc1)C
Systematic name (3)：
- 1-フェニル-4-メチル-2,3-ヘキサジエン
- (4-メチルヘキサ-2,3-ジエン-1-イル)ベンゼン
- (4-methylhexa-2,3-dien-1-yl)benzene
- 1-Phenyl-4-methyl-2,3-hexadiene
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