| SpectraBase Compound ID | FMbRRvKJy1u |
|---|---|
| InChI | InChI=1S/C7H9BrN2O3/c1-4(13-2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12) |
| InChIKey | FNUOGHWMONWYCK-UHFFFAOYSA-N |
| Mol Weight | 249.06 g/mol |
| Molecular Formula | C7H9BrN2O3 |
| Exact Mass | 247.979655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EctdecQsACd |
|---|---|
| Name | Pyrimidine-2,4(1H,3H)-dione, 5-bromo-1-(1-methoxyethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.979655155 u |
| Formula | C7H9BrN2O3 |
| InChI | InChI=1S/C7H9BrN2O3/c1-4(13-2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12) |
| InChIKey | FNUOGHWMONWYCK-UHFFFAOYSA-N |
| Molecular Weight | 249.064 g/mol |
| SMILES | COC(N1C(NC(=O)C(=C1)Br)=O)C |