| SpectraBase Spectrum ID |
5k1qkbLWhjf |
| Name |
Cyclohexanecarbonitrile, 4-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.334465008 u |
| Formula |
C31H43NO |
| InChI |
InChI=1S/C31H43NO/c1-3-5-7-8-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-9-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3 |
| InChIKey |
KVZLWOWBLRLHLJ-UHFFFAOYSA-N |
| Molecular Weight |
445.691 g/mol |
| SMILES |
C1(CCC(CC1)(C#N)CCCCC)C1=CC=C(C2=CC=C(OCCCCCCC)C=C2)C=C1 |
![Cyclohexanecarbonitrile, 4-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentyl-](/api/spectrum/5k1qkbLWhjf/structure.png?h=300&w=458 "Cyclohexanecarbonitrile, 4-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1-pentyl-")
