![5-[(2-methyl-3-benzofuranyl)methyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-thiol](/api/spectrum/7844VvjUadL/structure.png?h=300&w=458 "5-[(2-methyl-3-benzofuranyl)methyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-thiol")
| SpectraBase Compound ID | KzjAusU8Hp7 |
|---|---|
| InChI | InChI=1S/C19H14F3N3OS/c1-11-15(14-7-2-3-8-16(14)26-11)10-17-23-24-18(27)25(17)13-6-4-5-12(9-13)19(20,21)22/h2-9H,10H2,1H3,(H,24,27) |
| InChIKey | CSAOHRPKSOHXPW-UHFFFAOYSA-N |
| Mol Weight | 389.4 g/mol |
| Molecular Formula | C19H14F3N3OS |
| Exact Mass | 389.080968 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7844VvjUadL |
|---|---|
| Name | 5-[(2-methyl-3-benzofuranyl)methyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-thiol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H14F3N3OS |
| InChI | InChI=1S/C19H14F3N3OS/c1-11-15(14-7-2-3-8-16(14)26-11)10-17-23-24-18(27)25(17)13-6-4-5-12(9-13)19(20,21)22/h2-9H,10H2,1H3,(H,24,27) |
| InChIKey | CSAOHRPKSOHXPW-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46632M |
| Solvent | DMSO-d6 |