| SpectraBase Compound ID | 4sRbbTlE1NX |
|---|---|
| InChI | InChI=1S/C9H12Br2N2O3/c1-15-7(16-2)4-12-9(14)6-3-5(10)8(11)13-6/h3,7,13H,4H2,1-2H3,(H,12,14) |
| InChIKey | IAKLXIBJRVUCDF-UHFFFAOYSA-N |
| Mol Weight | 356.01 g/mol |
| Molecular Formula | C9H12Br2N2O3 |
| Exact Mass | 353.921468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nAPTABVb4y |
|---|---|
| Name | 4,5-Dibromo-N-(2,2-dimethoxyethyl)pytrrole-2-caroxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.921468251 u |
| Formula | C9H12Br2N2O3 |
| InChI | InChI=1S/C9H12Br2N2O3/c1-15-7(16-2)4-12-9(14)6-3-5(10)8(11)13-6/h3,7,13H,4H2,1-2H3,(H,12,14) |
| InChIKey | IAKLXIBJRVUCDF-UHFFFAOYSA-N |
| Molecular Weight | 356.014 g/mol |
| SMILES | C=1(NC(Br)=C(C1)Br)C(NCC(OC)OC)=O |