![5-methyl-3-{alpha-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}-m-tolyl}-1,2,4-oxadiazole](/api/spectrum/DED1ltpWpNy/structure.png?h=300&w=458 "5-methyl-3-{alpha-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}-m-tolyl}-1,2,4-oxadiazole")
| SpectraBase Compound ID | 9MqVguI3nPU |
|---|---|
| InChI | InChI=1S/C14H12F3N5OS/c1-8-18-11(21-23-8)10-5-3-4-9(6-10)7-24-13-20-19-12(22(13)2)14(15,16)17/h3-6H,7H2,1-2H3 |
| InChIKey | MNVMOYZBIVHMHT-UHFFFAOYSA-N |
| Mol Weight | 355.34 g/mol |
| Molecular Formula | C14H12F3N5OS |
| Exact Mass | 355.071466 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DED1ltpWpNy |
|---|---|
| Name | 5-methyl-3-{alpha-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}-m-tolyl}-1,2,4-oxadiazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H12F3N5OS |
| InChI | InChI=1S/C14H12F3N5OS/c1-8-18-11(21-23-8)10-5-3-4-9(6-10)7-24-13-20-19-12(22(13)2)14(15,16)17/h3-6H,7H2,1-2H3 |
| InChIKey | MNVMOYZBIVHMHT-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59041M |
| Solvent | CDCl3 |