![5-{[(3-cyano-5-methyl-2-pyridyl)thio]methyl}-3-isoxazolecarboxylic acid, ethyl ester](/api/spectrum/5NZHeJxe9xO/structure.png?h=300&w=458 "5-{[(3-cyano-5-methyl-2-pyridyl)thio]methyl}-3-isoxazolecarboxylic acid, ethyl ester")
| SpectraBase Compound ID | ILiFnlnfli1 |
|---|---|
| InChI | InChI=1S/C14H13N3O3S/c1-3-19-14(18)12-5-11(20-17-12)8-21-13-10(6-15)4-9(2)7-16-13/h4-5,7H,3,8H2,1-2H3 |
| InChIKey | FKEOEFZWOZIXKG-UHFFFAOYSA-N |
| Mol Weight | 303.34 g/mol |
| Molecular Formula | C14H13N3O3S |
| Exact Mass | 303.067762 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NZHeJxe9xO |
|---|---|
| Name | 5-{[(3-cyano-5-methyl-2-pyridyl)thio]methyl}-3-isoxazolecarboxylic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H13N3O3S |
| InChI | InChI=1S/C14H13N3O3S/c1-3-19-14(18)12-5-11(20-17-12)8-21-13-10(6-15)4-9(2)7-16-13/h4-5,7H,3,8H2,1-2H3 |
| InChIKey | FKEOEFZWOZIXKG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57971M |
| Solvent | CDCl3 |