![Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-](/api/spectrum/9O4qunChwty/structure.png?h=300&w=458 "Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-")
| SpectraBase Compound ID | DaSjM3oeFOl |
|---|---|
| InChI | InChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20) |
| InChIKey | BAQBCWWGOQNMJV-UHFFFAOYSA-N |
| Mol Weight | 265.28 g/mol |
| Molecular Formula | C14H11N5O |
| Exact Mass | 265.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9O4qunChwty |
|---|---|
| Name | Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.096359993 u |
| Formula | C14H11N5O |
| InChI | InChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20) |
| InChIKey | BAQBCWWGOQNMJV-UHFFFAOYSA-N |
| Molecular Weight | 265.276 g/mol |
| SMILES | C1=CC=C(C=C1)C(NC=1N=C(C2=CC=NC=C2)NN1)=O |