| SpectraBase Compound ID | 7QRyudLBp44 |
|---|---|
| InChI | InChI=1S/C16H13ClN2O/c1-10-5-3-4-6-15(10)19-11(2)18-14-9-12(17)7-8-13(14)16(19)20/h3-9H,1-2H3 |
| InChIKey | IHBJTADWNIJVJR-UHFFFAOYSA-N |
| Mol Weight | 284.75 g/mol |
| Molecular Formula | C16H13ClN2O |
| Exact Mass | 284.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xa75c4QfCx |
|---|---|
| Name | 7-Chloro-2-methyl-3-(o-tolyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.071640746 u |
| Formula | C16H13ClN2O |
| InChI | InChI=1S/C16H13ClN2O/c1-10-5-3-4-6-15(10)19-11(2)18-14-9-12(17)7-8-13(14)16(19)20/h3-9H,1-2H3 |
| InChIKey | IHBJTADWNIJVJR-UHFFFAOYSA-N |
| Molecular Weight | 284.746 g/mol |
| SMILES | C=12C=CC(=CC1N=C(N(C2=O)C=1C(=CC=CC1)C)C)Cl |