| SpectraBase Compound ID | 173ZwR8aGQ2 |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-13-7-6-8-4-5-9(14-2)11(15-3)10(8)12/h4-7H,1-3H3/b7-6- |
| InChIKey | LXIWMMGQJALIBX-SREVYHEPSA-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 | 333DxHsbiSj |
|---|---|
| Name | (E) and (Z)-1-(2-Bromo-3,4-dimethoxyphenyl)-2-methoxyethene |
| 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/c1-13-7-6-8-4-5-9(14-2)11(15-3)10(8)12/h4-7H,1-3H3/b7-6- |
| InChIKey | LXIWMMGQJALIBX-SREVYHEPSA-N |
| SMILES | C=1(C(=C(\C=C/OC)C=CC1OC)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963407 |