| SpectraBase Compound ID | Ka2yHwhO6Xb |
|---|---|
| InChI | InChI=1S/C11H9BrO4/c1-13-8-5-7(3-4-12)9(14-2)11-10(8)15-6-16-11/h5H,6H2,1-2H3 |
| InChIKey | MUKPZAFAUDKLMB-UHFFFAOYSA-N |
| Mol Weight | 285.09 g/mol |
| Molecular Formula | C11H9BrO4 |
| Exact Mass | 283.968422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LVZSzvVcYA |
|---|---|
| Name | 5-(2-Bromoethynyl)-4,7-dimethoxy-2H-1,3-benzodioxole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.968421766 u |
| Formula | C11H9BrO4 |
| InChI | InChI=1S/C11H9BrO4/c1-13-8-5-7(3-4-12)9(14-2)11-10(8)15-6-16-11/h5H,6H2,1-2H3 |
| InChIKey | MUKPZAFAUDKLMB-UHFFFAOYSA-N |
| SMILES | C1(=C2C(=C(C(=C1)C#CBr)OC)OCO2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820476 |