| SpectraBase Compound ID | 3PdsSGK8UYZ |
|---|---|
| InChI | InChI=1S/C16H32O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h16-17H,1-15H2 |
| InChIKey | JQHSMZHSMCGCDN-UHFFFAOYSA-N |
| Mol Weight | 272.4 g/mol |
| Molecular Formula | C16H32O3 |
| Exact Mass | 272.235145 g/mol |
| SpectraBase Spectrum ID | KLNTfvW3OYE |
|---|---|
| Name | 3,4,5,6-Tetrahydro-2-[(11-hydroxyundecyl)oxy]-2H-pyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.235144887 u |
| Formula | C16H32O3 |
| InChI | InChI=1S/C16H32O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h16-17H,1-15H2 |
| InChIKey | JQHSMZHSMCGCDN-UHFFFAOYSA-N |
| SMILES | C1(CCCCO1)OCCCCCCCCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866766 |