| SpectraBase Compound ID | 7tjp7xv4lGV |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(22)20(18(23)19-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21,23) |
| InChIKey | FINYAXPVJHNQGW-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FPcrWePmI0 |
|---|---|
| Name | 1,5-Dibenzylpyrimidine-2,4,6(1H,3H,5H)-trione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(22)20(18(23)19-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21,23) |
| InChIKey | FINYAXPVJHNQGW-UHFFFAOYSA-N |
| Molecular Weight | 308.337 g/mol |
| SMILES | C1(NC(C(C(N1CC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O)=O |