![5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-3-{[(2-PYRIMIDINYL)THIO]METHYL}-1,2,4-OXADIAZOLE](/api/spectrum/GKeup8a1PZ/structure.png?h=300&w=458 "5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-3-{[(2-PYRIMIDINYL)THIO]METHYL}-1,2,4-OXADIAZOLE")
| SpectraBase Compound ID | E0RJu8gGwio |
|---|---|
| InChI | InChI=1S/C15H8F6N4OS/c16-14(17,18)9-4-8(5-10(6-9)15(19,20)21)12-24-11(25-26-12)7-27-13-22-2-1-3-23-13/h1-6H,7H2 |
| InChIKey | HSBKOCVBNAJCKW-UHFFFAOYSA-N |
| Mol Weight | 406.31 g/mol |
| Molecular Formula | C15H8F6N4OS |
| Exact Mass | 406.032301 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKeup8a1PZ |
|---|---|
| Name | 5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-{[(2-pyrimidinyl)thio]methyl}-1,2,4-oxadiazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H8F6N4OS |
| InChI | InChI=1S/C15H8F6N4OS/c16-14(17,18)9-4-8(5-10(6-9)15(19,20)21)12-24-11(25-26-12)7-27-13-22-2-1-3-23-13/h1-6H,7H2 |
| InChIKey | HSBKOCVBNAJCKW-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55739M |
| Solvent | CDCl3 |