| SpectraBase Spectrum ID |
HBdEGTpmz8T |
| Name |
Cyclohexanecarbonitrile, 4-[4'-(nonyloxy)[1,1'-biphenyl]-4-yl]-1-octyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.412715330 u |
| Formula |
C36H53NO |
| InChI |
InChI=1S/C36H53NO/c1-3-5-7-9-11-13-15-29-38-35-22-20-33(21-23-35)31-16-18-32(19-17-31)34-24-27-36(30-37,28-25-34)26-14-12-10-8-6-4-2/h16-23,34H,3-15,24-29H2,1-2H3 |
| InChIKey |
RFXCIENAKJTMKG-UHFFFAOYSA-N |
| Molecular Weight |
515.826 g/mol |
| SMILES |
C1=C(C=CC(=C1)OCCCCCCCCC)C1=CC=C(C2CCC(CC2)(C#N)CCCCCCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907764 |
![Cyclohexanecarbonitrile, 4-[4'-(nonyloxy)[1,1'-biphenyl]-4-yl]-1-octyl-](/api/spectrum/HBdEGTpmz8T/structure.png?h=300&w=458 "Cyclohexanecarbonitrile, 4-[4'-(nonyloxy)[1,1'-biphenyl]-4-yl]-1-octyl-")
