| SpectraBase Compound ID | 6pGBWAbkCXe |
|---|---|
| InChI | InChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23) |
| InChIKey | CNMBDUACXYYBEO-UHFFFAOYSA-N |
| Mol Weight | 334.43 g/mol |
| Molecular Formula | C19H22N6 |
| Exact Mass | 334.190595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8QS5CbAuoR |
|---|---|
| Name | 1-(3-Amino-1H-1,2,4-triazol-5-yl)-4-(diphenylmethyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.190594732 u |
| Formula | C19H22N6 |
| InChI | InChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23) |
| InChIKey | CNMBDUACXYYBEO-UHFFFAOYSA-N |
| SMILES | NC=1N=C(N2CCN(CC2)C(C=2C=CC=CC2)C2=CC=CC=C2)NN1 |