Chem
J-GLOBAL ID：200907055918702015   Nikkaji number：J2.192.647G

4-(5β-Heptyl-1,3-dioxane-2α-yl)benzonitrile

4-(5β-ヘプチル-1,3-ジオキサン-2α-イル)ベンゾニトリル
Substance type：
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
Molecular formula： C18H25NO2
Molecular formula furigana： C18-H25-N-O2
Molecular weight： 287.403
InChI： InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,16,18H,2-7,13-14H2,1H3/t16-,18-
InChI key： HJTXWRYYUUFEPX-SAABIXHNSA-N
SMILES： CCCCCCC[C@H]1CO[C@@H](OC1)c1ccc(cc1)C#N
Systematic name  (3)：
  • 4-(5β-ヘプチル-1,3-ジオキサン-2α-イル)ベンゾニトリル
  • 4-[(2r,5r)-5-ヘプチル-1,3-ジオキサン-2-イル]ベンゾニトリル
  • 4-[(2r,5r)-5-heptyl-1,3-dioxan-2-yl]benzonitrile
Other name (1)：
  • 4-(5β-Heptyl-1,3-dioxane-2α-yl)benzonitrile
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