| SpectraBase Compound ID | 5WAEttE5rfG |
|---|---|
| InChI | InChI=1S/C27H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-27(28)29-25-20-23-26-21-17-16-18-22-26/h3-4,6-7,9-10,16-18,20-23H,2,5,8,11-15,19,24-25H2,1H3/b4-3-,7-6-,10-9-,23-20+ |
| InChIKey | XNIIGWLHWXGQKX-HGXWICJGSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C27H38O2 |
| Exact Mass | 394.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9WDGOihpQ4x |
|---|---|
| Name | Cinnamyl linolenate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.287180462 u |
| Formula | C27H38O2 |
| InChI | InChI=1S/C27H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-27(28)29-25-20-23-26-21-17-16-18-22-26/h3-4,6-7,9-10,16-18,20-23H,2,5,8,11-15,19,24-25H2,1H3/b4-3-,7-6-,10-9-,23-20+ |
| InChIKey | XNIIGWLHWXGQKX-HGXWICJGSA-N |
| Molecular Weight | 394.599 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87338 |