| SpectraBase Compound ID | dGql75qs9 |
|---|---|
| InChI | InChI=1S/C10H9BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3/b7-6+ |
| InChIKey | YIHZPTVKKKVMHT-VOTSOKGWSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C10H9BrO2 |
| Exact Mass | 239.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTj8UpnMgRg |
|---|---|
| Name | (E)-3-(2-Bromophenyl)-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.978592528 u |
| Formula | C10H9BrO2 |
| InChI | InChI=1S/C10H9BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3/b7-6+ |
| InChIKey | YIHZPTVKKKVMHT-VOTSOKGWSA-N |
| Molecular Weight | 241.084 g/mol |
| SMILES | C(\C=C\C=1C(Br)=CC=CC1)(=O)OC |