| SpectraBase Compound ID | 8xfVRHOvQHp |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h5-8,11-12H,3-4H2,1-2H3 |
| InChIKey | BJTFSJALTYYMKU-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
| SpectraBase Spectrum ID | ASdnxb8Vnh5 |
|---|---|
| Name | 1-(4-Ethoxyphenyl)propan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h5-8,11-12H,3-4H2,1-2H3 |
| InChIKey | BJTFSJALTYYMKU-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1=CC(=CC=C1OCC)C(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945719 |