![5-[(methylthio)methyl]-3-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-1,2,4-oxadiazole](/api/spectrum/2N9nVU2MxVm/structure.png?h=300&w=458 "5-[(methylthio)methyl]-3-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-1,2,4-oxadiazole")
| SpectraBase Compound ID | BJ3WY6Yf7cS |
|---|---|
| InChI | InChI=1S/C13H13F3N2O3S2/c1-22-6-12-17-11(18-21-12)8-23(19,20)7-9-3-2-4-10(5-9)13(14,15)16/h2-5H,6-8H2,1H3 |
| InChIKey | QGXKUTNXKUGEBO-UHFFFAOYSA-N |
| Mol Weight | 366.37 g/mol |
| Molecular Formula | C13H13F3N2O3S2 |
| Exact Mass | 366.031969 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2N9nVU2MxVm |
|---|---|
| Name | 5-[(methylthio)methyl]-3-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-1,2,4-oxadiazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13F3N2O3S2 |
| InChI | InChI=1S/C13H13F3N2O3S2/c1-22-6-12-17-11(18-21-12)8-23(19,20)7-9-3-2-4-10(5-9)13(14,15)16/h2-5H,6-8H2,1H3 |
| InChIKey | QGXKUTNXKUGEBO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55489M |
| Solvent | CDCl3 |