![5-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-1-(alpha,alpha,alpha-TRIFLUORO-p-TOLUOYL)PYRAZOLE](/api/spectrum/GDsg9hyDVQJ/structure.png?h=300&w=458 "5-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-1-(alpha,alpha,alpha-TRIFLUORO-p-TOLUOYL)PYRAZOLE")
| SpectraBase Compound ID | 44wJqBkhiDc |
|---|---|
| InChI | InChI=1S/C20H12ClF3N2OS/c1-11-15-10-14(21)6-7-17(15)28-18(11)16-8-9-25-26(16)19(27)12-2-4-13(5-3-12)20(22,23)24/h2-10H,1H3 |
| InChIKey | KHINLJFBQYBXCE-UHFFFAOYSA-N |
| Mol Weight | 420.84 g/mol |
| Molecular Formula | C20H12ClF3N2OS |
| Exact Mass | 420.031096 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDsg9hyDVQJ |
|---|---|
| Name | 5-(5-chloro-3-methylbenzo[b]thien-2-yl)-1-(alpha,alpha,alpha-trifluoro-p-toluoyl)pyrazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H12ClF3N2OS |
| InChI | InChI=1S/C20H12ClF3N2OS/c1-11-15-10-14(21)6-7-17(15)28-18(11)16-8-9-25-26(16)19(27)12-2-4-13(5-3-12)20(22,23)24/h2-10H,1H3 |
| InChIKey | KHINLJFBQYBXCE-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58266M |
| Solvent | CDCl3 |