| SpectraBase Compound ID | AVpwXO1lHBq |
|---|---|
| InChI | InChI=1S/C16H34/c1-5-9-11-15(7-3)13-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | DGQRNAPEPDFOEX-UHFFFAOYSA-N |
| Mol Weight | 226.4 g/mol |
| Molecular Formula | C16H34 |
| Exact Mass | 226.266051 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pWv31ea7Vn |
|---|---|
| Name | Dodecane, 5,8-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.266051095 u |
| Formula | C16H34 |
| InChI | InChI=1S/C16H34/c1-5-9-11-15(7-3)13-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | DGQRNAPEPDFOEX-UHFFFAOYSA-N |
| Molecular Weight | 226.448 g/mol |
| SMILES | C(C(CCCC)CC)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90111 |