![5-{[5-(4-chlorophenyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/9PQk9hO05mx/structure.png?h=300&w=458 "5-{[5-(4-chlorophenyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione")
| SpectraBase Compound ID | H1iTJpdeJfS |
|---|---|
| InChI | InChI=1S/C15H9ClN2O4/c16-9-3-1-8(2-4-9)12-6-5-10(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21) |
| InChIKey | FHFOIJIHMRSLEP-UHFFFAOYSA-N |
| Mol Weight | 316.7 g/mol |
| Molecular Formula | C15H9ClN2O4 |
| Exact Mass | 316.025084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PQk9hO05mx |
|---|---|
| Name | 5-{[5-(4-Chlorophenyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.025084474 u |
| Formula | C15H9ClN2O4 |
| InChI | InChI=1S/C15H9ClN2O4/c16-9-3-1-8(2-4-9)12-6-5-10(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21) |
| InChIKey | FHFOIJIHMRSLEP-UHFFFAOYSA-N |
| SMILES | N1C(NC(C(C1=O)=CC=1OC(C=2C=CC(=CC2)Cl)=CC1)=O)=O |