| SpectraBase Compound ID | 7JQk5SFeLvS |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-5-7-6-8(13-2)10(14-3)11(15-4)9(7)12/h5-6H,1H2,2-4H3 |
| InChIKey | GSNBVYXZLHFKHD-UHFFFAOYSA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gr1EkAoJE2v |
|---|---|
| Name | 2-Bromo-1-ethenyl-3,4,5-trimethoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c1-5-7-6-8(13-2)10(14-3)11(15-4)9(7)12/h5-6H,1H2,2-4H3 |
| InChIKey | GSNBVYXZLHFKHD-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=C(C=C1OC)C=C)Br)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85022 |