| SpectraBase Compound ID | 2a09XkpjUvC |
|---|---|
| InChI | InChI=1S/C8H9BrN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14) |
| InChIKey | CZBCNYUTAAUYOU-UHFFFAOYSA-N |
| Mol Weight | 277.07 g/mol |
| Molecular Formula | C8H9BrN2O4 |
| Exact Mass | 275.97457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zxTYW5EJ3p |
|---|---|
| Name | Ethyl (5-bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.974569774 u |
| Formula | C8H9BrN2O4 |
| InChI | InChI=1S/C8H9BrN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14) |
| InChIKey | CZBCNYUTAAUYOU-UHFFFAOYSA-N |
| Molecular Weight | 277.074 g/mol |
| SMILES | N1C(C(=CN(C1=O)CC(=O)OCC)Br)=O |