![4-cyano-2-[2-(methylsulfonyl)ethyl]-2-(2,4,6-trimethylbenzamido)butyric acid](/api/spectrum/JyHwt4mUG0G/structure.png?h=300&w=458 "4-cyano-2-[2-(methylsulfonyl)ethyl]-2-(2,4,6-trimethylbenzamido)butyric acid")
| SpectraBase Compound ID | A6sAhdoYmB6 |
|---|---|
| InChI | InChI=1S/C18H24N2O5S/c1-12-10-13(2)15(14(3)11-12)16(21)20-18(17(22)23,6-5-8-19)7-9-26(4,24)25/h10-11H,5-7,9H2,1-4H3,(H,20,21)(H,22,23) |
| InChIKey | HJZQYQWJYYNKRU-UHFFFAOYSA-N |
| Mol Weight | 380.46 g/mol |
| Molecular Formula | C18H24N2O5S |
| Exact Mass | 380.140593 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyHwt4mUG0G |
|---|---|
| Name | 4-cyano-2-[2-(methylsulfonyl)ethyl]-2-(2,4,6-trimethylbenzamido)butyric acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24N2O5S |
| InChI | InChI=1S/C18H24N2O5S/c1-12-10-13(2)15(14(3)11-12)16(21)20-18(17(22)23,6-5-8-19)7-9-26(4,24)25/h10-11H,5-7,9H2,1-4H3,(H,20,21)(H,22,23) |
| InChIKey | HJZQYQWJYYNKRU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 38404M |
| Solvent | Polysol |