| SpectraBase Compound ID | 4KAULmIUTen |
|---|---|
| InChI | InChI=1S/C19H36O3/c1-2-3-4-8-13-18(20)14-9-6-5-7-11-16-21-19-15-10-12-17-22-19/h19H,2-17H2,1H3 |
| InChIKey | NFAOAKOYWRSLPK-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C19H36O3 |
| Exact Mass | 312.266445 g/mol |
| SpectraBase Spectrum ID | 9wunexcmGf4 |
|---|---|
| Name | 1-Tetrahydropyranyloxy-8-tetradecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.266445016 u |
| Formula | C19H36O3 |
| InChI | InChI=1S/C19H36O3/c1-2-3-4-8-13-18(20)14-9-6-5-7-11-16-21-19-15-10-12-17-22-19/h19H,2-17H2,1H3 |
| InChIKey | NFAOAKOYWRSLPK-UHFFFAOYSA-N |
| SMILES | C(CCCCCCC(CCCCCC)=O)OC1CCCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972963 |