| SpectraBase Compound ID | B2WXLlXZA1o |
|---|---|
| InChI | InChI=1S/C16H11N3O3/c20-16-17-14(11-4-2-1-3-5-11)10-15(18-16)12-6-8-13(9-7-12)19(21)22/h1-10H,(H,17,18,20) |
| InChIKey | OJQCIEKKSDHPDV-UHFFFAOYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C16H11N3O3 |
| Exact Mass | 293.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ja4pIisbCkt |
|---|---|
| Name | 2-oxo-4-Phenyl-6-(4-nitrophenyl)-1,2-dihydropyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.080041223 u |
| Formula | C16H11N3O3 |
| InChI | InChI=1S/C16H11N3O3/c20-16-17-14(11-4-2-1-3-5-11)10-15(18-16)12-6-8-13(9-7-12)19(21)22/h1-10H,(H,17,18,20) |
| InChIKey | OJQCIEKKSDHPDV-UHFFFAOYSA-N |
| Molecular Weight | 293.282 g/mol |
| SMILES | C1(N=C(C=C(N1)C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1)=O |