| SpectraBase Compound ID | 6vAS8vPVdH1 |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-2-14-6-7-15-11(13)9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | GXQDBBFSTLBRAR-UHFFFAOYSA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zqQmIeqVev |
|---|---|
| Name | 3-Bromobenzoic acid, 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c1-2-14-6-7-15-11(13)9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | GXQDBBFSTLBRAR-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)Br)(=O)OCCOCC |