| SpectraBase Compound ID | 4GAZF2wWtWA |
|---|---|
| InChI | InChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-18-14-16(2)13-17(3)15-18/h16-18H,4-15H2,1-3H3 |
| InChIKey | YPQIESFJJWOFIP-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 | 38WMoebZscI |
|---|---|
| Name | 1,3-Dimethyl-5-N-decylcyclohexane |
| 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/c1-4-5-6-7-8-9-10-11-12-18-14-16(2)13-17(3)15-18/h16-18H,4-15H2,1-3H3 |
| InChIKey | YPQIESFJJWOFIP-UHFFFAOYSA-N |
| Molecular Weight | 252.486 g/mol |
| SMILES | C1(CC(CC(C1)CCCCCCCCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868477 |