| SpectraBase Compound ID | 2dj82m4MPNO |
|---|---|
| InChI | InChI=1S/C22H20F3N5S/c1-3-29-19(12-15(2)28-29)20-26-27-21(31-14-16-8-5-4-6-9-16)30(20)18-11-7-10-17(13-18)22(23,24)25/h4-13H,3,14H2,1-2H3 |
| InChIKey | UYERGGGQNVKLPM-UHFFFAOYSA-N |
| Mol Weight | 443.49 g/mol |
| Molecular Formula | C22H20F3N5S |
| Exact Mass | 443.139151 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oSPc1YFvKJ |
|---|---|
| Name | 3-(benzylthio)-5-(1-ethyl-3-methylpyrazol-5-yl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20F3N5S |
| InChI | InChI=1S/C22H20F3N5S/c1-3-29-19(12-15(2)28-29)20-26-27-21(31-14-16-8-5-4-6-9-16)30(20)18-11-7-10-17(13-18)22(23,24)25/h4-13H,3,14H2,1-2H3 |
| InChIKey | UYERGGGQNVKLPM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59243M |
| Solvent | CDCl3 |