| SpectraBase Compound ID | 8eL27xNCFnF |
|---|---|
| InChI | InChI=1S/C13H20O3/c14-9-4-7-13(15)8-10-16-11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2 |
| InChIKey | KSCAFMUXYRUCFW-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LATbtNj6R09 |
|---|---|
| Name | dl-6-(Benzyloxy)hexane-1,4-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c14-9-4-7-13(15)8-10-16-11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2 |
| InChIKey | KSCAFMUXYRUCFW-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C(CCC(CCOCC=1C=CC=CC1)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901365 |