![1-{1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one](/api/spectrum/H7nz5f3YyCe/structure.png?h=300&w=458 "1-{1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one")
| SpectraBase Compound ID | KpH9yNeOX0G |
|---|---|
| InChI | InChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3 |
| InChIKey | PWOPOMVMAIZNGN-UHFFFAOYSA-N |
| Mol Weight | 219.22 g/mol |
| Molecular Formula | C11H10FN3O |
| Exact Mass | 219.08079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7nz5f3YyCe |
|---|---|
| Name | 1-{1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.080790116 u |
| Formula | C11H10FN3O |
| InChI | InChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3 |
| InChIKey | PWOPOMVMAIZNGN-UHFFFAOYSA-N |
| Molecular Weight | 219.219 g/mol |
| SMILES | C(C)(=O)C=1N=NN(C1)CC=1C=CC(=CC1)F |