| SpectraBase Compound ID | 4ttqcntbr7y |
|---|---|
| InChI | InChI=1S/C24H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h5,7,10-11,13-14H,3-4,6,8-9,12,15-23H2,1-2H3/b7-5-,11-10-,14-13- |
| InChIKey | ZLLRLCFMJNOZAC-LNCSVHMCSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C24H42O2 |
| Exact Mass | 362.318481 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38RvIx9bviz |
|---|---|
| Name | Hexyl linolenate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.318480590 u |
| Formula | C24H42O2 |
| InChI | InChI=1S/C24H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h5,7,10-11,13-14H,3-4,6,8-9,12,15-23H2,1-2H3/b7-5-,11-10-,14-13- |
| InChIKey | ZLLRLCFMJNOZAC-LNCSVHMCSA-N |
| Molecular Weight | 362.598 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937041 |