| SpectraBase Compound ID | 490PF9octRc |
|---|---|
| InChI | InChI=1S/C20H40/c1-3-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(19)4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | WTKPOZCPQVMNOI-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C20H40 |
| Exact Mass | 280.313001 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1VX1Mz5h2rC |
|---|---|
| Name | Cyclohexadecane, 1,2-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.313001288 u |
| Formula | C20H40 |
| InChI | InChI=1S/C20H40/c1-3-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(19)4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | WTKPOZCPQVMNOI-UHFFFAOYSA-N |
| SMILES | C1CCCCCCCC(C(CCCCCC1)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940917 |