| SpectraBase Compound ID | YgIbUlPJm6 |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,11H,5-7H2 |
| InChIKey | RHPLYFZTWLENEV-UHFFFAOYSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C9H11BrO2 |
| Exact Mass | 229.994243 g/mol |
| SpectraBase Spectrum ID | BYZrUSgKzF4 |
|---|---|
| Name | 2-[(2-Bromophenyl)methoxy]ethan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.994242592 u |
| Formula | C9H11BrO2 |
| InChI | InChI=1S/C9H11BrO2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,11H,5-7H2 |
| InChIKey | RHPLYFZTWLENEV-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C(O)COCC1=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809236 |