![4-(p-methoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide](/api/spectrum/GTsVdNgvrPL/structure.png?h=300&w=458 "4-(p-methoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide")
| SpectraBase Compound ID | BRJhggIZC9D |
|---|---|
| InChI | InChI=1S/C14H12N4OS.BrH/c1-3-10-20-14-17-16-13(8-9-15)18(14)11-4-6-12(19-2)7-5-11;/h1,4-7H,8,10H2,2H3;1H |
| InChIKey | FOFBJCSFFILNIO-UHFFFAOYSA-N |
| Mol Weight | 365.249 g/mol |
| Molecular Formula | C14H13BrN4OS |
| Exact Mass | 363.999345 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTsVdNgvrPL |
|---|---|
| Name | 4-(p-methoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H13BrN4OS |
| InChI | InChI=1S/C14H12N4OS.BrH/c1-3-10-20-14-17-16-13(8-9-15)18(14)11-4-6-12(19-2)7-5-11;/h1,4-7H,8,10H2,2H3;1H |
| InChIKey | FOFBJCSFFILNIO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 26608M |
| Solvent | Polysol-d |