| SpectraBase Compound ID | 9tQDXyMZlUt |
|---|---|
| InChI | InChI=1S/C11H8Br2O/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h4-8H,1H3 |
| InChIKey | SYFHURYPNURBHE-UHFFFAOYSA-N |
| Mol Weight | 315.99 g/mol |
| Molecular Formula | C11H8Br2O |
| Exact Mass | 313.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FU1matktVFG |
|---|---|
| Name | 1-(4,4-Dibromobut-3-en-1-ynyl)-4-methoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.894190877 u |
| Formula | C11H8Br2O |
| InChI | InChI=1S/C11H8Br2O/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h4-8H,1H3 |
| InChIKey | SYFHURYPNURBHE-UHFFFAOYSA-N |
| Molecular Weight | 315.992 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)C#CC=C(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928263 |