| SpectraBase Spectrum ID |
7pH2i8ZwfHQ |
| Name |
6-(4-Bromophenyl)-2-phenylpyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864069 |
