![2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-](/api/spectrum/840dk7vTGB6/structure.png?h=300&w=458 "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-")
| SpectraBase Compound ID | L9uOAQWD2pB |
|---|---|
| InChI | InChI=1S/C11H7ClN2O3/c12-8-4-2-1-3-6(8)5-7-9(15)13-11(17)14-10(7)16/h1-5H,(H2,13,14,15,16,17) |
| InChIKey | FMAIJMYTMYNJHJ-UHFFFAOYSA-N |
| Mol Weight | 250.64 g/mol |
| Molecular Formula | C11H7ClN2O3 |
| Exact Mass | 250.01452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 840dk7vTGB6 |
|---|---|
| Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.014519790 u |
| Formula | C11H7ClN2O3 |
| InChI | InChI=1S/C11H7ClN2O3/c12-8-4-2-1-3-6(8)5-7-9(15)13-11(17)14-10(7)16/h1-5H,(H2,13,14,15,16,17) |
| InChIKey | FMAIJMYTMYNJHJ-UHFFFAOYSA-N |
| Molecular Weight | 250.641 g/mol |
| SMILES | C1(C(NC(NC1=O)=O)=O)=CC1=CC=CC=C1Cl |