| SpectraBase Compound ID | B21MWXUiWq7 |
|---|---|
| InChI | InChI=1S/C7H7FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3H2,(H,9,11,12) |
| InChIKey | NUSNKFZUAGYVMV-UHFFFAOYSA-N |
| Mol Weight | 170.14 g/mol |
| Molecular Formula | C7H7FN2O2 |
| Exact Mass | 170.049156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQ5Y5OufJgN |
|---|---|
| Name | 1-Allyl-5-fluoro-2,4(1H,3H)-pyrimidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.049155634 u |
| Formula | C7H7FN2O2 |
| InChI | InChI=1S/C7H7FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3H2,(H,9,11,12) |
| InChIKey | NUSNKFZUAGYVMV-UHFFFAOYSA-N |
| Molecular Weight | 170.143 g/mol |
| SMILES | N1C(C(=CN(C1=O)CC=C)F)=O |