| SpectraBase Compound ID | 8MrSiOWbd1R |
|---|---|
| InChI | InChI=1S/C15H10ClN3O3/c1-9-17-13-5-3-2-4-11(13)15(20)18(9)14-7-6-10(19(21)22)8-12(14)16/h2-8H,1H3 |
| InChIKey | CAPGDMLTAQKIHX-UHFFFAOYSA-N |
| Mol Weight | 315.72 g/mol |
| Molecular Formula | C15H10ClN3O3 |
| Exact Mass | 315.041069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BudvjIe6ogb |
|---|---|
| Name | 3-(2-Chloro-4-nitro-phenyl)-2-methyl-3H-quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.041068891 u |
| Formula | C15H10ClN3O3 |
| InChI | InChI=1S/C15H10ClN3O3/c1-9-17-13-5-3-2-4-11(13)15(20)18(9)14-7-6-10(19(21)22)8-12(14)16/h2-8H,1H3 |
| InChIKey | CAPGDMLTAQKIHX-UHFFFAOYSA-N |
| Molecular Weight | 315.716 g/mol |
| SMILES | C1=CC2=C(C=C1)C(N(C1=C(C=C(C=C1)N(=O)=O)Cl)C(=N2)C)=O |