![3-(p-tert-butylphenyl)-5-[(2-chloro-6-fluorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole](/api/spectrum/BwyqERdUeJg/structure.png?h=300&w=458 "3-(p-tert-butylphenyl)-5-[(2-chloro-6-fluorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole")
| SpectraBase Compound ID | FKak9WLyZEp |
|---|---|
| InChI | InChI=1S/C28H29ClFN3S/c1-18(2)19-11-15-22(16-12-19)33-26(20-9-13-21(14-10-20)28(3,4)5)31-32-27(33)34-17-23-24(29)7-6-8-25(23)30/h6-16,18H,17H2,1-5H3 |
| InChIKey | LHLCXAHYSOFDAB-UHFFFAOYSA-N |
| Mol Weight | 494.07 g/mol |
| Molecular Formula | C28H29ClFN3S |
| Exact Mass | 493.175475 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwyqERdUeJg |
|---|---|
| Name | 3-(p-tert-butylphenyl)-5-[(2-chloro-6-fluorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H29ClFN3S |
| InChI | InChI=1S/C28H29ClFN3S/c1-18(2)19-11-15-22(16-12-19)33-26(20-9-13-21(14-10-20)28(3,4)5)31-32-27(33)34-17-23-24(29)7-6-8-25(23)30/h6-16,18H,17H2,1-5H3 |
| InChIKey | LHLCXAHYSOFDAB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46849M |
| Solvent | CDCl3 |