trans-4-(5-Pentyl-1,3-Dioxan-2-Yl)Benzonitrile
[CAS# 74240-66-7]

Identification

• Name: trans-4-(5-Pentyl-1,3-Dioxan-2-Yl)Benzonitrile
• Synonyms: 4-[(2S)-5-Amyl-4H-1,3-Dioxin-2-Yl]Benzonitrile; Benzonitrile, 4-(Trans-5-Pentyl-1,3-Dioxan-2-Yl)-
• Molecular Formula: C₁₆H₁₉NO₂
• Molecular Weight: 257.33
• CAS Registry Number: 74240-66-7
• SMILES: [C@H]2(C1=CC=C(C#N)C=C1)OCC(=CO2)CCCCC
• InChI: 1S/C16H19NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,11,16H,2-5,12H2,1H3/t16-/m1/s1
• InChIKey: QSDVTHZLHOIJLN-MRXNPFEDSA-N