| SpectraBase Compound ID | 2IrfzUzfpEB |
|---|---|
| InChI | InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | JXKFQCQTFUPIFF-UHFFFAOYSA-N |
| Mol Weight | 296.6 g/mol |
| Molecular Formula | C21H44 |
| Exact Mass | 296.344301 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ozuVKXMGGE |
|---|---|
| Name | Nonadecane, 2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.344301417 u |
| Formula | C21H44 |
| InChI | InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | JXKFQCQTFUPIFF-UHFFFAOYSA-N |
| SMILES | CC(C)C(CCCCCCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935617 |