![4-(p-fluorophenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile monohydrobromide](/api/spectrum/6GrBHXca4rN/structure.png?h=300&w=458 "4-(p-fluorophenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile monohydrobromide")
| SpectraBase Compound ID | 3dHylvdfXyy |
|---|---|
| InChI | InChI=1S/C13H9FN4S.BrH/c1-2-9-19-13-17-16-12(7-8-15)18(13)11-5-3-10(14)4-6-11;/h1,3-6H,7,9H2;1H |
| InChIKey | YGHQYOYWQAVCNM-UHFFFAOYSA-N |
| Mol Weight | 353.213 g/mol |
| Molecular Formula | C13H10BrFN4S |
| Exact Mass | 351.979359 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GrBHXca4rN |
|---|---|
| Name | 4-(p-fluorophenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10BrFN4S |
| InChI | InChI=1S/C13H9FN4S.BrH/c1-2-9-19-13-17-16-12(7-8-15)18(13)11-5-3-10(14)4-6-11;/h1,3-6H,7,9H2;1H |
| InChIKey | YGHQYOYWQAVCNM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27119M |
| Solvent | Polysol |