| SpectraBase Compound ID | BtF497dl0cf |
|---|---|
| InChI | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3,5-6H,1,4,7-18H2,2H3/b6-5+ |
| InChIKey | DQNIXBPAQPTTRP-AATRIKPKSA-N |
| Mol Weight | 294.5 g/mol |
| Molecular Formula | C19H34O2 |
| Exact Mass | 294.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FRsS6p1UxG0 |
|---|---|
| Name | 14,17-Octadecadienoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.255880333 u |
| Formula | C19H34O2 |
| InChI | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3,5-6H,1,4,7-18H2,2H3/b6-5+ |
| InChIKey | DQNIXBPAQPTTRP-AATRIKPKSA-N |
| SMILES | C(CCCCCCC\C=C\CC=C)CCCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835793 |