| SpectraBase Compound ID | 6kBXIl95fmK |
|---|---|
| InChI | InChI=1S/C18H36/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h17-18H,3-16H2,1-2H3 |
| InChIKey | KBVIBWSEPXLFGZ-UHFFFAOYSA-N |
| Mol Weight | 252.5 g/mol |
| Molecular Formula | C18H36 |
| Exact Mass | 252.281701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GrP3qlqpLLO |
|---|---|
| Name | Dodecane, 5-cyclohexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.281701159 u |
| Formula | C18H36 |
| InChI | InChI=1S/C18H36/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h17-18H,3-16H2,1-2H3 |
| InChIKey | KBVIBWSEPXLFGZ-UHFFFAOYSA-N |
| Molecular Weight | 252.486 g/mol |
| SMILES | C(C(CCCC)C1CCCCC1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861485 |