![[2-(methylthio)nicotinamido]malonic acid, diethyl ester](/api/spectrum/IlfBocq9O73/structure.png?h=300&w=458 "[2-(methylthio)nicotinamido]malonic acid, diethyl ester")
| SpectraBase Compound ID | 6fXkd7FFcxh |
|---|---|
| InChI | InChI=1S/C14H18N2O5S/c1-4-20-13(18)10(14(19)21-5-2)16-11(17)9-7-6-8-15-12(9)22-3/h6-8,10H,4-5H2,1-3H3,(H,16,17) |
| InChIKey | RGSWBPILOVNTJI-UHFFFAOYSA-N |
| Mol Weight | 326.37 g/mol |
| Molecular Formula | C14H18N2O5S |
| Exact Mass | 326.093643 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlfBocq9O73 |
|---|---|
| Name | [2-(methylthio)nicotinamido]malonic acid, diethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18N2O5S |
| InChI | InChI=1S/C14H18N2O5S/c1-4-20-13(18)10(14(19)21-5-2)16-11(17)9-7-6-8-15-12(9)22-3/h6-8,10H,4-5H2,1-3H3,(H,16,17) |
| InChIKey | RGSWBPILOVNTJI-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56952M |
| Solvent | CDCl3 |