| SpectraBase Compound ID | 1IlDRvYPgcU |
|---|---|
| InChI | InChI=1S/C14H10N4O/c19-12(10-5-2-1-3-6-10)14-16-13(17-18-14)11-7-4-8-15-9-11/h1-9H,(H,16,17,18) |
| InChIKey | ZKOJUEWOLGBKAL-UHFFFAOYSA-N |
| Mol Weight | 250.26 g/mol |
| Molecular Formula | C14H10N4O |
| Exact Mass | 250.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tW0EBhHVEf |
|---|---|
| Name | Phenyl 3-(3-pyridyl)-S-triazol-5-yl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.085460957 u |
| Formula | C14H10N4O |
| InChI | InChI=1S/C14H10N4O/c19-12(10-5-2-1-3-6-10)14-16-13(17-18-14)11-7-4-8-15-9-11/h1-9H,(H,16,17,18) |
| InChIKey | ZKOJUEWOLGBKAL-UHFFFAOYSA-N |
| Molecular Weight | 250.261 g/mol |
| SMILES | N1C(=NC(=N1)C=1C=NC=CC1)C(C1=CC=CC=C1)=O |