![3-Dodecyn-1-ol, 12-[(tetrahydro-2H-pyran-2-yl)oxy]-](/api/spectrum/4bnkY83JwIP/structure.png?h=300&w=458 "3-Dodecyn-1-ol, 12-[(tetrahydro-2H-pyran-2-yl)oxy]-")
| SpectraBase Compound ID | 2TlcwJ58pzh |
|---|---|
| InChI | InChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17-18H,1-4,6,8-16H2 |
| InChIKey | YBKCPZCTRSXWRF-UHFFFAOYSA-N |
| Mol Weight | 282.42 g/mol |
| Molecular Formula | C17H30O3 |
| Exact Mass | 282.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bnkY83JwIP |
|---|---|
| Name | 3-Dodecyn-1-ol, 12-[(tetrahydro-2H-pyran-2-yl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.219494823 u |
| Formula | C17H30O3 |
| InChI | InChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17-18H,1-4,6,8-16H2 |
| InChIKey | YBKCPZCTRSXWRF-UHFFFAOYSA-N |
| SMILES | C(#CCCCCCCCCOC1OCCCC1)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916622 |