| SpectraBase Compound ID | 4APgaGp3zsb |
|---|---|
| InChI | InChI=1S/C8H8N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2,(H,10,11,12) |
| InChIKey | KTEQHOVTBRZQPC-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C8H8N4 |
| Exact Mass | 160.074896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rHKTYtgEBn |
|---|---|
| Name | 4-(1H-1,2,4-Triazol-3-yl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.074896274 u |
| Formula | C8H8N4 |
| InChI | InChI=1S/C8H8N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2,(H,10,11,12) |
| InChIKey | KTEQHOVTBRZQPC-UHFFFAOYSA-N |
| Molecular Weight | 160.180 g/mol |
| SMILES | C1=CC(C=2N=CNN2)=CC=C1N |