![5-(3,5-dimethyl-4-isoxazolyl)-3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole](/api/spectrum/5U3IdkEnp98/structure.png?h=300&w=458 "5-(3,5-dimethyl-4-isoxazolyl)-3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole")
| SpectraBase Compound ID | CbJtJO1BOYs |
|---|---|
| InChI | InChI=1S/C14H13N3O4S/c1-9-13(10(2)20-16-9)14-15-12(17-21-14)8-22(18,19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
| InChIKey | NFIHJMKHQDJLHY-UHFFFAOYSA-N |
| Mol Weight | 319.34 g/mol |
| Molecular Formula | C14H13N3O4S |
| Exact Mass | 319.062677 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5U3IdkEnp98 |
|---|---|
| Name | 5-(3,5-dimethyl-4-isoxazolyl)-3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H13N3O4S |
| InChI | InChI=1S/C14H13N3O4S/c1-9-13(10(2)20-16-9)14-15-12(17-21-14)8-22(18,19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
| InChIKey | NFIHJMKHQDJLHY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58680M |
| Solvent | CDCl3 |