| SpectraBase Compound ID | 2qOE1ikQIyi |
|---|---|
| InChI | InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H |
| InChIKey | AHDAKFFMKLQPTD-UHFFFAOYSA-N |
| Mol Weight | 249.11 g/mol |
| Molecular Formula | C12H9BrO |
| Exact Mass | 247.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7YRJSHl0vBb |
|---|---|
| Name | 1-Bromo-3-(phenoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.983677909 u |
| Formula | C12H9BrO |
| InChI | InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H |
| InChIKey | AHDAKFFMKLQPTD-UHFFFAOYSA-N |
| Molecular Weight | 249.107 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913496 |