| SpectraBase Compound ID | AJPZmgpQWvJ |
|---|---|
| InChI | InChI=1S/C12H12Br2O4/c1-7(13)11(15)17-9-5-3-4-6-10(9)18-12(16)8(2)14/h3-8H,1-2H3 |
| InChIKey | VPLKAHNKDLFQRF-UHFFFAOYSA-N |
| Mol Weight | 380.03 g/mol |
| Molecular Formula | C12H12Br2O4 |
| Exact Mass | 377.910235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EBDgbCPKLq |
|---|---|
| Name | 1,2-Benzenediol, o-di(2-bromopropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.910234862 u |
| Formula | C12H12Br2O4 |
| InChI | InChI=1S/C12H12Br2O4/c1-7(13)11(15)17-9-5-3-4-6-10(9)18-12(16)8(2)14/h3-8H,1-2H3 |
| InChIKey | VPLKAHNKDLFQRF-UHFFFAOYSA-N |
| Molecular Weight | 380.032 g/mol |
| SMILES | CC(C(=O)OC1=CC=CC=C1OC(C(C)Br)=O)Br |