| SpectraBase Compound ID | 1Q1igL2OD4T |
|---|---|
| InChI | InChI=1S/C9H8N4/c1-2-4-9(5-3-1)6-11-13-8-10-7-12-13/h1-8H/b11-6+ |
| InChIKey | CXYNAVGOSKIZJQ-IZZDOVSWSA-N |
| Mol Weight | 172.19 g/mol |
| Molecular Formula | C9H8N4 |
| Exact Mass | 172.074896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8IWzxjfZv81 |
|---|---|
| Name | (E)-Benzal(1,2,4-triazol-1-yl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.074896274 u |
| Formula | C9H8N4 |
| InChI | InChI=1S/C9H8N4/c1-2-4-9(5-3-1)6-11-13-8-10-7-12-13/h1-8H/b11-6+ |
| InChIKey | CXYNAVGOSKIZJQ-IZZDOVSWSA-N |
| Molecular Weight | 172.191 g/mol |
| SMILES | C1=NN(C=N1)\N=C\C=1C=CC=CC1 |