| SpectraBase Compound ID | H7qtqeGEvM8 |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c1-21-16(20)14-17-15(12-8-4-2-5-9-12)19(18-14)13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | ZDFYKYMHTRBENP-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F12iCZD8rPZ |
|---|---|
| Name | 1,5-Diphenyl-1H-1,2,4-triazole-3-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c1-21-16(20)14-17-15(12-8-4-2-5-9-12)19(18-14)13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | ZDFYKYMHTRBENP-UHFFFAOYSA-N |
| SMILES | C1(=NN(C(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC |