| SpectraBase Compound ID | LYS4tjWUUJB |
|---|---|
| InChI | InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(19)20-2/h14-16,18H,3-13H2,1-2H3/b15-14+ |
| InChIKey | SQMBDKKTEIQPLF-CCEZHUSRSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C17H32O3 |
| Exact Mass | 284.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IvG5QRQwWUx |
|---|---|
| Name | Methyl 4-hydroxy-trans-2-hexadecenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.235144887 u |
| Formula | C17H32O3 |
| InChI | InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(19)20-2/h14-16,18H,3-13H2,1-2H3/b15-14+ |
| InChIKey | SQMBDKKTEIQPLF-CCEZHUSRSA-N |
| SMILES | C(CCCCCCCCCC(\C=C\C(OC)=O)O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881511 |