| SpectraBase Compound ID | EQYnSy95JMn |
|---|---|
| InChI | InChI=1S/C18H34O3/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h6,8,18-19H,1-5,7,9-17H2/b8-6+ |
| InChIKey | TYVRSQXJYDFKQY-SOFGYWHQSA-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 | 7ni9orWwmQP |
|---|---|
| Name | (E)-13-(2-Oxanyloxy)-3-tridecen-1-ol |
| 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/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h6,8,18-19H,1-5,7,9-17H2/b8-6+ |
| InChIKey | TYVRSQXJYDFKQY-SOFGYWHQSA-N |
| SMILES | C1(OCCCC1)OCCCCCCCCC\C=C\CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895228 |