| SpectraBase Spectrum ID |
EQdRLuejk22 |
| Name |
2-(4-Pentyl-cyclohexyl)-1-[4'-(4-pentyl-cyclohexyl)-biphenyl-4-yl]-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.401816293 u |
| Formula |
C36H52O |
| InChI |
InChI=1S/C36H52O/c1-3-5-7-9-28-11-13-30(14-12-28)27-36(37)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-29(16-18-31)10-8-6-4-2/h19-26,28-31H,3-18,27H2,1-2H3 |
| InChIKey |
MUMDUFSZTHDJIR-UHFFFAOYSA-N |
| Molecular Weight |
500.811 g/mol |
| SMILES |
C=1C(=CC=C(C1)C=1C=CC(=CC1)C(CC1CCC(CC1)CCCCC)=O)C1CCC(CC1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92065 |
![2-(4-Pentyl-cyclohexyl)-1-[4'-(4-pentyl-cyclohexyl)-biphenyl-4-yl]-ethanone](/api/spectrum/EQdRLuejk22/structure.png?h=300&w=458 "2-(4-Pentyl-cyclohexyl)-1-[4'-(4-pentyl-cyclohexyl)-biphenyl-4-yl]-ethanone")
