| SpectraBase Compound ID | 9T3IuUSxdKq |
|---|---|
| InChI | InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18) |
| InChIKey | UTEHUKGJDLVHIH-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C15H12N2O |
| Exact Mass | 236.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6z31VmfAXYP |
|---|---|
| Name | 2-(4-Methylphenyl)-1H-quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.094963013 u |
| Formula | C15H12N2O |
| InChI | InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18) |
| InChIKey | UTEHUKGJDLVHIH-UHFFFAOYSA-N |
| Molecular Weight | 236.274 g/mol |
| SMILES | C=1(NC(C2=C(N1)C=CC=C2)=O)C=1C=CC(=CC1)C |