| SpectraBase Compound ID | 7ITADRvXGgo |
|---|---|
| InChI | InChI=1S/C14H10FN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) |
| InChIKey | FXRFMCDLHSKARY-UHFFFAOYSA-N |
| Mol Weight | 283.27 g/mol |
| Molecular Formula | C14H10FN5O |
| Exact Mass | 283.086938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwHoBSs9voR |
|---|---|
| Name | 1H-1,2,4-Triazol-5-amine, 1-(4-fluorobenzoyl)-3-(3-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.086938124 u |
| Formula | C14H10FN5O |
| InChI | InChI=1S/C14H10FN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) |
| InChIKey | FXRFMCDLHSKARY-UHFFFAOYSA-N |
| Molecular Weight | 283.266 g/mol |
| SMILES | C1=CC(C=2N=C(N(C(C3=CC=C(C=C3)F)=O)N2)N)=CN=C1 |