| SpectraBase Compound ID | 41Y7yq6uvNg |
|---|---|
| InChI | InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3 |
| InChIKey | WFHOTLLWUFRHST-UHFFFAOYSA-N |
| Mol Weight | 308.6 g/mol |
| Molecular Formula | C21H40O |
| Exact Mass | 308.307916 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CDOU10vhwge |
|---|---|
| Name | 1-Heneicosen-11-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.307915907 u |
| Formula | C21H40O |
| InChI | InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3 |
| InChIKey | WFHOTLLWUFRHST-UHFFFAOYSA-N |
| Molecular Weight | 308.550 g/mol |
| SMILES | C(=O)(CCCCCCCCCC)CCCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910753 |