| SpectraBase Spectrum ID |
A5hkaDoRVmt |
| Name |
Trans-4-(trans-4-pentylcyclohexyl)cyclohexanebutanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.307915907 u |
| Formula |
C21H40O |
| InChI |
InChI=1S/C21H40O/c1-2-3-4-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-5-6-17-22/h18-22H,2-17H2,1H3/t18-,19-,20-,21- |
| InChIKey |
ZBEFBYWFBOEFBO-IFSQOONMSA-N |
| Molecular Weight |
308.550 g/mol |
| SMILES |
[C@]1([C@]2(CC[C@@](CC2)(CCCCO)[H])[H])(CC[C@](CC1)(CCCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867531 |
