![1-[1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]ethanone](/api/spectrum/LNZ4f8otfXi/structure.png?h=300&w=458 "1-[1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]ethanone")
| SpectraBase Compound ID | CVUZK5POtVx |
|---|---|
| InChI | InChI=1S/C11H8F3N3O/c1-7(18)9-10(11(12,13)14)17(16-15-9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | QVMFARRMEARXEB-UHFFFAOYSA-N |
| Mol Weight | 255.2 g/mol |
| Molecular Formula | C11H8F3N3O |
| Exact Mass | 255.061946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNZ4f8otfXi |
|---|---|
| Name | 1-[1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.061946378 u |
| Formula | C11H8F3N3O |
| InChI | InChI=1S/C11H8F3N3O/c1-7(18)9-10(11(12,13)14)17(16-15-9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | QVMFARRMEARXEB-UHFFFAOYSA-N |
| Molecular Weight | 255.200 g/mol |
| SMILES | C1(=C(N=NN1C1=CC=CC=C1)C(=O)C)C(F)(F)F |