| SpectraBase Compound ID | Jn4CxICyHkF |
|---|---|
| InChI | InChI=1S/C18H32/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h15-18H,1-14H2 |
| InChIKey | JBQRJHVXZMSLNH-UHFFFAOYSA-N |
| Mol Weight | 248.5 g/mol |
| Molecular Formula | C18H32 |
| Exact Mass | 248.250401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KIYeT6faRzN |
|---|---|
| Name | 1,1':3',1''-Tercyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.250401030 u |
| Formula | C18H32 |
| InChI | InChI=1S/C18H32/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h15-18H,1-14H2 |
| InChIKey | JBQRJHVXZMSLNH-UHFFFAOYSA-N |
| Molecular Weight | 248.454 g/mol |
| SMILES | C1(CC(CCC1)C1CCCCC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979088 |