| SpectraBase Compound ID | 3MBty3RRYcw |
|---|---|
| InChI | InChI=1S/C15H11N3O3/c19-15-12-6-2-3-7-13(12)16-10-17(15)9-11-5-1-4-8-14(11)18(20)21/h1-8,10H,9H2 |
| InChIKey | ZKCLILYELAGDHJ-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C15H11N3O3 |
| Exact Mass | 281.080041 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 | 5SpfK0GExBL |
|---|---|
| Name | 3-(2-Nitrobenzyl)quinazolin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.080041223 u |
| Formula | C15H11N3O3 |
| InChI | InChI=1S/C15H11N3O3/c19-15-12-6-2-3-7-13(12)16-10-17(15)9-11-5-1-4-8-14(11)18(20)21/h1-8,10H,9H2 |
| InChIKey | ZKCLILYELAGDHJ-UHFFFAOYSA-N |
| SMILES | C=1C=CC=2C(N(C=NC2C1)CC=1C(N(=O)=O)=CC=CC1)=O |