| SpectraBase Compound ID | AqTn7CqyQqT |
|---|---|
| InChI | InChI=1S/C11H11BrO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,1-3H3 |
| InChIKey | VIUPTUCOKVNITQ-UHFFFAOYSA-N |
| Mol Weight | 271.11 g/mol |
| Molecular Formula | C11H11BrO3 |
| Exact Mass | 269.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pdrIfzkSvX |
|---|---|
| Name | 5-(2-Bromoethynyl)-1,2,3-trimethoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.989157211 u |
| Formula | C11H11BrO3 |
| InChI | InChI=1S/C11H11BrO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,1-3H3 |
| InChIKey | VIUPTUCOKVNITQ-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=CC(=C1)C#CBr)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957669 |