Chem
J-GLOBAL ID：202007014069494110
Nikkaji number：J3.750.678H
2-(3-メチルフェニル)-4-メチル-1H-ピロール-3-カルボニトリル
2-(3-メチルフェニル)-4-メチル-1H-ピロール-3-カルボニトリル
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： C13H12N2
Molecular formula furigana： C13-H12-N2
Molecular weight： 196.253
InChI：
InChI=1S/C13H12N2/c1-9-4-3-5-11(6-9)13-12(7-14)10(2)8-15-13/h3-6,8,15H,1-2H3
InChI key：
JYEVMHWUPVFGDS-UHFFFAOYSA-N
SMILES：
[nH]1c(c(c(c1)C)C#N)c1cc(ccc1)C
Systematic name (3)：
- 2-(3-メチルフェニル)-4-メチル-1H-ピロール-3-カルボニトリル
- 4-メチル-2-(3-メチルフェニル)-1H-ピロール-3-カルボニトリル
- 4-methyl-2-(3-methylphenyl)-1H-pyrrole-3-carbonitrile
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