![3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyridine](/api/spectrum/4Lh0Ml6bXX/structure.png?h=300&w=458 "3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyridine")
| SpectraBase Compound ID | 20ZWrBBtP5z |
|---|---|
| InChI | InChI=1S/C14H12N4O/c1-19-12-6-4-10(5-7-12)13-16-14(18-17-13)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17,18) |
| InChIKey | VSKMSPBTCVVPCN-UHFFFAOYSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C14H12N4O |
| Exact Mass | 252.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Lh0Ml6bXX |
|---|---|
| Name | 3-[5-(4-Methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.101111021 u |
| Formula | C14H12N4O |
| InChI | InChI=1S/C14H12N4O/c1-19-12-6-4-10(5-7-12)13-16-14(18-17-13)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17,18) |
| InChIKey | VSKMSPBTCVVPCN-UHFFFAOYSA-N |
| Molecular Weight | 252.277 g/mol |
| SMILES | COC=1C=CC(C2=NC(C3=CN=CC=C3)=NN2)=CC1 |