| SpectraBase Compound ID | 5h5ynHXxIO4 |
|---|---|
| InChI | InChI=1S/C18H28/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h8,11-12,15-17H,1-7,9-10,13-14H2 |
| InChIKey | NKFNKCQNUBQGQP-UHFFFAOYSA-N |
| Mol Weight | 244.42 g/mol |
| Molecular Formula | C18H28 |
| Exact Mass | 244.219101 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 | JpOQgBUWWvq |
|---|---|
| Name | Cyclododecylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.219100902 u |
| Formula | C18H28 |
| InChI | InChI=1S/C18H28/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h8,11-12,15-17H,1-7,9-10,13-14H2 |
| InChIKey | NKFNKCQNUBQGQP-UHFFFAOYSA-N |
| Molecular Weight | 244.422 g/mol |
| SMILES | C=1(C=CC=CC1)C1CCCCCCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928935 |