| SpectraBase Compound ID | 1WG9DhaRtvw |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(15)12-14/h8-10,12,15H,2-7,11H2,1H3 |
| InChIKey | QFTTTWKZLOQAFF-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Df5eSWIyaEw |
|---|---|
| Name | Phenol, 3-(octyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(15)12-14/h8-10,12,15H,2-7,11H2,1H3 |
| InChIKey | QFTTTWKZLOQAFF-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | CCCCCCCCOC1=CC=CC(=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82098 |