| SpectraBase Compound ID | 4eqk4Myj6jB |
|---|---|
| InChI | InChI=1S/C16H14N4O/c17-16-14(15(21)13-9-5-2-6-10-13)18-19-20(16)11-12-7-3-1-4-8-12/h1-10H,11,17H2 |
| InChIKey | ACYTXLICEPTELH-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C16H14N4O |
| Exact Mass | 278.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CgHbJ61fAJ |
|---|---|
| Name | 1-Benzyl-4-benzoyl-5-amino-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.116761086 u |
| Formula | C16H14N4O |
| InChI | InChI=1S/C16H14N4O/c17-16-14(15(21)13-9-5-2-6-10-13)18-19-20(16)11-12-7-3-1-4-8-12/h1-10H,11,17H2 |
| InChIKey | ACYTXLICEPTELH-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(C1N)CC=1C=CC=CC1)C(C=1C=CC=CC1)=O |