4-(1-But-3-En-2-Yl-3,5,8-Trioxabicyclo[2.2.2]Octan-4-Yl)Benzonitrile
[CAS# 135097-63-1]

Identification

• Name: 4-(1-But-3-En-2-Yl-3,5,8-Trioxabicyclo[2.2.2]Octan-4-Yl)Benzonitrile
• Synonyms: 4-[1-(1-Methylprop-2-Enyl)-3,5,8-Trioxabicyclo[2.2.2]Octan-4-Yl]Benzonitrile; 1-(4-Cyanophenyl)-4-(1-Methylprop-2-Enyl)-Tbo; Benzonitrile, 4-(4-(1-Methyl-2-Propenyl)-2,6,7-Trioxabicyclo(2.2.2)Oct-1-Yl)-
• Molecular Formula: C₁₆H₁₇NO₃
• Molecular Weight: 271.32
• CAS Registry Number: 135097-63-1
• SMILES: C1=CC(=CC=C1C#N)C23OCC(CO2)(CO3)C(C=C)C
• InChI: 1S/C16H17NO3/c1-3-12(2)15-9-18-16(19-10-15,20-11-15)14-6-4-13(8-17)5-7-14/h3-7,12H,1,9-11H2,2H3
• InChIKey: JKNOWKAKZIKOMS-UHFFFAOYSA-N