Chem
J-GLOBAL ID：200907003379187969   Nikkaji number：J201.478E

4-(5β-Pentyl-1,3-dioxan-2α-yl)benzonitrile

trans-2-(4-シアノフェニル)-5-ペンチル-1,3-ジオキサン
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： C16H21NO2
Molecular formula furigana： C16-H21-N-O2
Molecular weight： 259.349
InChI： InChI=1S/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3/t14-,16-
InChI key： SSXIKUCDZOQOKB-KOMQPUFPSA-N
SMILES： CCCCC[C@H]1CO[C@@H](OC1)c1ccc(cc1)C#N
Systematic name  (4)：
  • 4-(5β-ペンチル-1,3-ジオキサン-2α-イル)ベンゾニトリル
  • 4-(5α-ペンチル-1,3-ジオキサン-2β-イル)ベンゾニトリル
  • 4-[(2r,5r)-5-ペンチル-1,3-ジオキサン-2-イル]ベンゾニトリル
  • 4-[(2r,5r)-5-pentyl-1,3-dioxan-2-yl]benzonitrile
Other name (7)：
  • 4-(trans-5-ペンチル-1,3-ジオキサン-2-イル)ベンゾニトリル
  • 4-(5β-Pentyl-1,3-dioxan-2α-yl)benzonitrile
  • 4-(5α-Pentyl-1,3-dioxane-2β-yl)benzonitrile
  • trans-2-(4-シアノフェニル)-5-ペンチル-1,3-ジオキサン
  • trans-2-(4-Cyanophenyl)-5-pentyl-1,3-dioxane
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CAS registry number： 74240-66-7
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