| SpectraBase Compound ID | 1IjmEMNNBFa |
|---|---|
| InChI | InChI=1S/C24H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-23H2,1-2H3/b7-5-,10-9-,13-12- |
| InChIKey | TVFKGQZWJHZMNC-XQOKXTRKSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C24H42O3 |
| Exact Mass | 378.313395 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GNdXutLVHJn |
|---|---|
| Name | 2-Butoxyethyl linolenate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.313395209 u |
| Formula | C24H42O3 |
| InChI | InChI=1S/C24H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-23H2,1-2H3/b7-5-,10-9-,13-12- |
| InChIKey | TVFKGQZWJHZMNC-XQOKXTRKSA-N |
| Molecular Weight | 378.597 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OCCOCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958075 |