| SpectraBase Compound ID | GmzsVlHbknt |
|---|---|
| InChI | InChI=1S/C11H9BrO7/c12-7-2-8(18-4-10(14)15)6(3-13)1-9(7)19-5-11(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17) |
| InChIKey | HCBBUUQIEVBQTN-UHFFFAOYSA-N |
| Mol Weight | 333.09 g/mol |
| Molecular Formula | C11H9BrO7 |
| Exact Mass | 331.953166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | m2h934Vvud |
|---|---|
| Name | 2,2'-(2-Bromo-5-formyl-1,4-phenylene)bis(oxy)diacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.953165623 u |
| Formula | C11H9BrO7 |
| InChI | InChI=1S/C11H9BrO7/c12-7-2-8(18-4-10(14)15)6(3-13)1-9(7)19-5-11(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17) |
| InChIKey | HCBBUUQIEVBQTN-UHFFFAOYSA-N |
| Molecular Weight | 333.090 g/mol |
| SMILES | C=1C(=C(C=C(C1Br)OCC(O)=O)C=O)OCC(O)=O |