![5-tert-butyl-3-{[(2-pyridyl)sulfonyl]methyl}-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/KVXL20ZR70s/structure.png?h=300&w=458 "5-tert-butyl-3-{[(2-pyridyl)sulfonyl]methyl}-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | JlklVfsBXrE |
|---|---|
| InChI | InChI=1S/C16H19NO4S2/c1-16(2,3)12-9-11(14(22-12)15(18)21-4)10-23(19,20)13-7-5-6-8-17-13/h5-9H,10H2,1-4H3 |
| InChIKey | GJVRFXMDRKWSOU-UHFFFAOYSA-N |
| Mol Weight | 353.45 g/mol |
| Molecular Formula | C16H19NO4S2 |
| Exact Mass | 353.07555 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVXL20ZR70s |
|---|---|
| Name | 5-tert-butyl-3-{[(2-pyridyl)sulfonyl]methyl}-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19NO4S2 |
| InChI | InChI=1S/C16H19NO4S2/c1-16(2,3)12-9-11(14(22-12)15(18)21-4)10-23(19,20)13-7-5-6-8-17-13/h5-9H,10H2,1-4H3 |
| InChIKey | GJVRFXMDRKWSOU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55837M |
| Solvent | CDCl3 |