| SpectraBase Compound ID | LUA9zGQKZRq |
|---|---|
| InChI | InChI=1S/C14H30/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | KDRXSZIYLPVVDY-UHFFFAOYSA-N |
| Mol Weight | 198.39 g/mol |
| Molecular Formula | C14H30 |
| Exact Mass | 198.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Yb7T6PDMWg |
|---|---|
| Name | Dodecane, 2,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.234750966 u |
| Formula | C14H30 |
| InChI | InChI=1S/C14H30/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | KDRXSZIYLPVVDY-UHFFFAOYSA-N |
| Molecular Weight | 198.394 g/mol |
| SMILES | C(C(CCCCCCC)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910192 |