![3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole](/api/spectrum/5WU6K2FVB3Z/structure.png?h=300&w=458 "3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole")
| SpectraBase Compound ID | 53jRTajvfQf |
|---|---|
| InChI | InChI=1S/C18H10ClF3N4O2S2/c1-25-16(12-8-29-14-5-3-10(19)7-11(12)14)23-24-17(25)30-15-4-2-9(18(20,21)22)6-13(15)26(27)28/h2-8H,1H3 |
| InChIKey | SHFPTXHADLUPDH-UHFFFAOYSA-N |
| Mol Weight | 470.87 g/mol |
| Molecular Formula | C18H10ClF3N4O2S2 |
| Exact Mass | 469.98858 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WU6K2FVB3Z |
|---|---|
| Name | 3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H10ClF3N4O2S2 |
| InChI | InChI=1S/C18H10ClF3N4O2S2/c1-25-16(12-8-29-14-5-3-10(19)7-11(12)14)23-24-17(25)30-15-4-2-9(18(20,21)22)6-13(15)26(27)28/h2-8H,1H3 |
| InChIKey | SHFPTXHADLUPDH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57377M |
| Solvent | Polysol |