![o-[3-(4-Pyridyl)-S-triazol-5-yl]phenol](/api/spectrum/DACAVzoIAGs/structure.png?h=300&w=458 "o-[3-(4-Pyridyl)-S-triazol-5-yl]phenol")
| SpectraBase Compound ID | E8b2LmlVx0N |
|---|---|
| InChI | InChI=1S/C13H10N4O/c18-11-4-2-1-3-10(11)13-15-12(16-17-13)9-5-7-14-8-6-9/h1-8,18H,(H,15,16,17) |
| InChIKey | XMWNZGGMCFTLNW-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C13H10N4O |
| Exact Mass | 238.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DACAVzoIAGs |
|---|---|
| Name | o-[3-(4-Pyridyl)-S-triazol-5-yl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.085460957 u |
| Formula | C13H10N4O |
| InChI | InChI=1S/C13H10N4O/c18-11-4-2-1-3-10(11)13-15-12(16-17-13)9-5-7-14-8-6-9/h1-8,18H,(H,15,16,17) |
| InChIKey | XMWNZGGMCFTLNW-UHFFFAOYSA-N |
| Molecular Weight | 238.250 g/mol |
| SMILES | N1C(C=2C(=CC=CC2)O)=NC(=N1)C=1C=CN=CC1 |