| SpectraBase Compound ID | Diq5ZyG0EZr |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-4-6-8-10-11-12-13-15-17-19-21(22)23-20(3)18-16-14-9-7-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | HYKPJPPJSIVFDS-UHFFFAOYSA-N |
| Mol Weight | 326.6 g/mol |
| Molecular Formula | C21H42O2 |
| Exact Mass | 326.318481 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GaXW6IUPsnW |
|---|---|
| Name | 2-Nonanol laureate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.318480590 u |
| Formula | C21H42O2 |
| InChI | InChI=1S/C21H42O2/c1-4-6-8-10-11-12-13-15-17-19-21(22)23-20(3)18-16-14-9-7-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | HYKPJPPJSIVFDS-UHFFFAOYSA-N |
| Molecular Weight | 326.565 g/mol |
| SMILES | C(CCCCCCCCCCC)(=O)OC(C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919806 |