| SpectraBase Compound ID | GOWRcb4bDN0 |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h3-19H2,1-2H3 |
| InChIKey | ZBRRLVWJAPULGW-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3SrQ2X5w5xp |
|---|---|
| Name | Henicosane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h3-19H2,1-2H3 |
| InChIKey | ZBRRLVWJAPULGW-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | CC(CC(CCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816195 |