![4'-isopropyl-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide](/api/spectrum/Al5ZNPthYP8/structure.png?h=300&w=458 "4'-isopropyl-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide")
| SpectraBase Compound ID | 8RfJiJ5xncG |
|---|---|
| InChI | InChI=1S/C31H41F3N4OS/c1-4-5-6-7-8-9-10-11-12-17-28-36-37-30(38(28)27-16-14-13-15-26(27)31(32,33)34)40-22-29(39)35-25-20-18-24(19-21-25)23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,35,39) |
| InChIKey | LBFLZFVOSVOBQS-UHFFFAOYSA-N |
| Mol Weight | 574.8 g/mol |
| Molecular Formula | C31H41F3N4OS |
| Exact Mass | 574.295318 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Al5ZNPthYP8 |
|---|---|
| Name | 4'-isopropyl-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H41F3N4OS |
| InChI | InChI=1S/C31H41F3N4OS/c1-4-5-6-7-8-9-10-11-12-17-28-36-37-30(38(28)27-16-14-13-15-26(27)31(32,33)34)40-22-29(39)35-25-20-18-24(19-21-25)23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,35,39) |
| InChIKey | LBFLZFVOSVOBQS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59080M |
| Solvent | CDCl3 |