| SpectraBase Compound ID | FIZHOanbwm |
|---|---|
| InChI | InChI=1S/C16H11N3O/c17-10-15-18-14-9-5-4-8-13(14)16(20)19(15)11-12-6-2-1-3-7-12/h1-9H,11H2 |
| InChIKey | NHUVEJRIVBXMPF-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C16H11N3O |
| Exact Mass | 261.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64SDxukO8Yn |
|---|---|
| Name | 3-Benzyl-4-keto-quinazoline-2-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.090211985 u |
| Formula | C16H11N3O |
| InChI | InChI=1S/C16H11N3O/c17-10-15-18-14-9-5-4-8-13(14)16(20)19(15)11-12-6-2-1-3-7-12/h1-9H,11H2 |
| InChIKey | NHUVEJRIVBXMPF-UHFFFAOYSA-N |
| Molecular Weight | 261.284 g/mol |
| SMILES | C1(N(C(=NC=2C=CC=CC12)C#N)CC=1C=CC=CC1)=O |