| SpectraBase Compound ID | JLQadjNa7SK |
|---|---|
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20-2)16-18(19)21-3/h9-10,17H,4-8,11-16H2,1-3H3/b10-9+ |
| InChIKey | VCYOXDLNVDQXEQ-MDZDMXLPSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C18H34O3 |
| Exact Mass | 298.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5TbKv17zTWK |
|---|---|
| Name | 3-Methoxymethyl hexadecen-9-oate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.250794952 u |
| Formula | C18H34O3 |
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20-2)16-18(19)21-3/h9-10,17H,4-8,11-16H2,1-3H3/b10-9+ |
| InChIKey | VCYOXDLNVDQXEQ-MDZDMXLPSA-N |
| SMILES | C(CCC\C=C\CCCCCC(CC(OC)=O)OC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968787 |