| SpectraBase Compound ID | GqF8jZhqstp |
|---|---|
| InChI | InChI=1S/C16H11BrN2O/c17-13-8-6-11(7-9-13)14-10-15(20)19-16(18-14)12-4-2-1-3-5-12/h1-10H,(H,18,19,20) |
| InChIKey | XKCPJGBWDOOTSU-UHFFFAOYSA-N |
| Mol Weight | 327.18 g/mol |
| Molecular Formula | C16H11BrN2O |
| Exact Mass | 326.005476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2N37ZUeWItf |
|---|---|
| Name | 6-(4-Bromophenyl)-2-phenylpyrimidin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.005475981 u |
| Formula | C16H11BrN2O |
| InChI | InChI=1S/C16H11BrN2O/c17-13-8-6-11(7-9-13)14-10-15(20)19-16(18-14)12-4-2-1-3-5-12/h1-10H,(H,18,19,20) |
| InChIKey | XKCPJGBWDOOTSU-UHFFFAOYSA-N |
| Molecular Weight | 327.181 g/mol |
| SMILES | C1(=NC(=CC(N1)=O)C=1C=CC(=CC1)Br)C1=CC=CC=C1 |