| SpectraBase Compound ID | 7Gpp5oRjCP5 |
|---|---|
| InChI | InChI=1S/C12H13BrO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3/b11-8- |
| InChIKey | LYFMLDYMLOOFRK-FLIBITNWSA-N |
| Mol Weight | 285.14 g/mol |
| Molecular Formula | C12H13BrO3 |
| Exact Mass | 284.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6HeU7kKFoP |
|---|---|
| Name | (Z)-2-Bromo-3-(4-methoxyphenyl)-2-propenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.004807276 u |
| Formula | C12H13BrO3 |
| InChI | InChI=1S/C12H13BrO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3/b11-8- |
| InChIKey | LYFMLDYMLOOFRK-FLIBITNWSA-N |
| SMILES | C(\C(=C\C=1C=CC(=CC1)OC)Br)(=O)OCC |