| SpectraBase Compound ID | 6rHdlZ6cvts |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13- |
| InChIKey | QRTVDKVXAFJVRU-YPKPFQOOSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C9n2zKY5M1s |
|---|---|
| Name | 6-Octadecenoic acid, methyl ester, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13- |
| InChIKey | QRTVDKVXAFJVRU-YPKPFQOOSA-N |
| SMILES | C(\C=C/CCCCC(OC)=O)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957188 |