![4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitilre, monohydrobromide](/api/spectrum/EIAFRLHpHex/structure.png?h=300&w=458 "4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitilre, monohydrobromide")
| SpectraBase Compound ID | 6RvMki9GPSK |
|---|---|
| InChI | InChI=1S/C15H13ClN4O2S.BrH/c1-4-7-23-15-19-18-14(5-6-17)20(15)11-9-12(21-2)10(16)8-13(11)22-3;/h1,8-9H,5,7H2,2-3H3;1H |
| InChIKey | LVTKORXBBNMSOR-UHFFFAOYSA-N |
| Mol Weight | 429.72 g/mol |
| Molecular Formula | C15H14BrClN4O2S |
| Exact Mass | 427.970938 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIAFRLHpHex |
|---|---|
| Name | 4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2-propynyl)thio]-4H-1,2,4-triazole-3-acetonitilre, monohydrobromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H14BrClN4O2S |
| InChI | InChI=1S/C15H13ClN4O2S.BrH/c1-4-7-23-15-19-18-14(5-6-17)20(15)11-9-12(21-2)10(16)8-13(11)22-3;/h1,8-9H,5,7H2,2-3H3;1H |
| InChIKey | LVTKORXBBNMSOR-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 24874M |
| Solvent | DMSO-d6 |