| SpectraBase Compound ID | 3z48Rdqu8jc |
|---|---|
| InChI | InChI=1S/C9H8N4O/c14-9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+ |
| InChIKey | GKPHOGZVUNCBKS-LFYBBSHMSA-N |
| Mol Weight | 188.19 g/mol |
| Molecular Formula | C9H8N4O |
| Exact Mass | 188.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUA4fGuKbmE |
|---|---|
| Name | 4-(Salicylideneamino)-4H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.069810893 u |
| Formula | C9H8N4O |
| InChI | InChI=1S/C9H8N4O/c14-9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+ |
| InChIKey | GKPHOGZVUNCBKS-LFYBBSHMSA-N |
| Molecular Weight | 188.190 g/mol |
| SMILES | OC1=CC=CC=C1\C=N\N1C=NN=C1 |