| SpectraBase Compound ID | 5w4P9jpUcVx |
|---|---|
| InChI | InChI=1S/C19H34O3/c1-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22-2/h5,7,11,13,18,20H,3-4,6,8-10,12,14-17H2,1-2H3/b7-5-,13-11- |
| InChIKey | NKSSFRCNBLNXBF-DPTWWRMPSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C19H34O3 |
| Exact Mass | 310.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ILJx0HRKl99 |
|---|---|
| Name | Methyl 15-hydroxy-9,12-octadecadienoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.250794952 u |
| Formula | C19H34O3 |
| InChI | InChI=1S/C19H34O3/c1-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22-2/h5,7,11,13,18,20H,3-4,6,8-10,12,14-17H2,1-2H3/b7-5-,13-11- |
| InChIKey | NKSSFRCNBLNXBF-DPTWWRMPSA-N |
| SMILES | C(CCCCCC\C=C/C\C=C/CC(CCC)O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977485 |