| SpectraBase Compound ID | 9yG9CRU5NmZ |
|---|---|
| InChI | InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21/h20-22H,2-19H2,1H3 |
| InChIKey | RAZKJGDSGFGVPZ-UHFFFAOYSA-N |
| Mol Weight | 314.6 g/mol |
| Molecular Formula | C20H42O2 |
| Exact Mass | 314.318481 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Kuv3v6MO35 |
|---|---|
| Name | 1,4-Eicosanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.318480590 u |
| Formula | C20H42O2 |
| InChI | InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21/h20-22H,2-19H2,1H3 |
| InChIKey | RAZKJGDSGFGVPZ-UHFFFAOYSA-N |
| Molecular Weight | 314.554 g/mol |
| SMILES | C(CCC(CCCO)O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895258 |