| SpectraBase Compound ID | 2ANzGKbJF1d |
|---|---|
| InChI | InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H |
| InChIKey | PNPWQEYBCDBCSQ-UHFFFAOYSA-N |
| Mol Weight | 273.3 g/mol |
| Molecular Formula | C16H11N5 |
| Exact Mass | 273.101445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhBx5xJMMRo |
|---|---|
| Name | 2-Phenyl-4-(4H-1,2,4-triazol-4-yl)quinazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.101445374 u |
| Formula | C16H11N5 |
| InChI | InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H |
| InChIKey | PNPWQEYBCDBCSQ-UHFFFAOYSA-N |
| SMILES | C1(=C2C(=NC(=N1)C1=CC=CC=C1)C=CC=C2)N1C=NN=C1 |