| SpectraBase Compound ID | BkDF71YMyzv |
|---|---|
| InChI | InChI=1S/C9H12BrN3O3/c1-12-7(14)6(5-11-4-3-10)8(15)13(2)9(12)16/h5,11H,3-4H2,1-2H3 |
| InChIKey | RQOCSCGMPPURTB-UHFFFAOYSA-N |
| Mol Weight | 290.12 g/mol |
| Molecular Formula | C9H12BrN3O3 |
| Exact Mass | 289.006204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpxoxkZGvOZ |
|---|---|
| Name | 1,3-Dimethyl-5-(2-bromoethyl)aminomethyleneperhydropyrimidine-2,4,6-trione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.006204255 u |
| Formula | C9H12BrN3O3 |
| InChI | InChI=1S/C9H12BrN3O3/c1-12-7(14)6(5-11-4-3-10)8(15)13(2)9(12)16/h5,11H,3-4H2,1-2H3 |
| InChIKey | RQOCSCGMPPURTB-UHFFFAOYSA-N |
| Molecular Weight | 290.117 g/mol |
| SMILES | N(C=C1C(N(C(N(C1=O)C)=O)C)=O)CCBr |