![2-{[5-(p-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-o-(5-nitro-2-furoyl)acetamidoxime](/api/spectrum/285cVnnzQh0/structure.png?h=300&w=458 "2-{[5-(p-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-o-(5-nitro-2-furoyl)acetamidoxime")
| SpectraBase Compound ID | AeYgq4s0wYp |
|---|---|
| InChI | InChI=1S/C20H22N6O5S/c1-20(2,3)13-7-5-12(6-8-13)17-22-23-19(25(17)4)32-11-15(21)24-31-18(27)14-9-10-16(30-14)26(28)29/h5-10H,11H2,1-4H3,(H2,21,24) |
| InChIKey | QYQJXWXKOMDFAC-UHFFFAOYSA-N |
| Mol Weight | 458.49 g/mol |
| Molecular Formula | C20H22N6O5S |
| Exact Mass | 458.137239 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 285cVnnzQh0 |
|---|---|
| Name | 2-{[5-(p-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-o-(5-nitro-2-furoyl)acetamidoxime |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N6O5S |
| InChI | InChI=1S/C20H22N6O5S/c1-20(2,3)13-7-5-12(6-8-13)17-22-23-19(25(17)4)32-11-15(21)24-31-18(27)14-9-10-16(30-14)26(28)29/h5-10H,11H2,1-4H3,(H2,21,24) |
| InChIKey | QYQJXWXKOMDFAC-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46504M |
| Solvent | DMSO-d6 |