![2-Phenyl-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-5-one, N-methyl-](/api/spectrum/6yykvqKxhWy/structure.png?h=300&w=458 "2-Phenyl-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-5-one, N-methyl-")
| SpectraBase Compound ID | DNyrUDp7Tf9 |
|---|---|
| InChI | InChI=1S/C16H12N4O/c1-19-13-10-6-5-9-12(13)15-17-14(18-20(15)16(19)21)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | IIPCKFGGOXZLKU-UHFFFAOYSA-N |
| Mol Weight | 276.3 g/mol |
| Molecular Formula | C16H12N4O |
| Exact Mass | 276.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yykvqKxhWy |
|---|---|
| Name | 2-Phenyl-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-5-one, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.101111021 u |
| Formula | C16H12N4O |
| InChI | InChI=1S/C16H12N4O/c1-19-13-10-6-5-9-12(13)15-17-14(18-20(15)16(19)21)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | IIPCKFGGOXZLKU-UHFFFAOYSA-N |
| SMILES | C1(=NN2C(=N1)C1=C(C=CC=C1)N(C2=O)C)C1=CC=CC=C1 |