| SpectraBase Compound ID | BtErvlnz7Ea |
|---|---|
| InChI | InChI=1S/C13H10N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-9H,(H,15,16,17) |
| InChIKey | LYJGTNPLWZSTJL-UHFFFAOYSA-N |
| Mol Weight | 222.25 g/mol |
| Molecular Formula | C13H10N4 |
| Exact Mass | 222.090546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lp0NLNml4Ic |
|---|---|
| Name | Pyridine, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.090546338 u |
| Formula | C13H10N4 |
| InChI | InChI=1S/C13H10N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-9H,(H,15,16,17) |
| InChIKey | LYJGTNPLWZSTJL-UHFFFAOYSA-N |
| Molecular Weight | 222.251 g/mol |
| SMILES | C1=CC=C(C=C1)C=1NC(=NN1)C1=CN=CC=C1 |