![(benzo[b]thiophene-2-carboxamido)malonic acid, diethyl ester](/api/spectrum/GKvncMAZbjz/structure.png?h=300&w=458 "(benzo[b]thiophene-2-carboxamido)malonic acid, diethyl ester")
| SpectraBase Compound ID | 7oo7rOwjc6v |
|---|---|
| InChI | InChI=1S/C16H17NO5S/c1-3-21-15(19)13(16(20)22-4-2)17-14(18)12-9-10-7-5-6-8-11(10)23-12/h5-9,13H,3-4H2,1-2H3,(H,17,18) |
| InChIKey | KAQXRHNCFOFTQD-UHFFFAOYSA-N |
| Mol Weight | 335.37 g/mol |
| Molecular Formula | C16H17NO5S |
| Exact Mass | 335.082744 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKvncMAZbjz |
|---|---|
| Name | (benzo[b]thiophene-2-carboxamido)malonic acid, diethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO5S |
| InChI | InChI=1S/C16H17NO5S/c1-3-21-15(19)13(16(20)22-4-2)17-14(18)12-9-10-7-5-6-8-11(10)23-12/h5-9,13H,3-4H2,1-2H3,(H,17,18) |
| InChIKey | KAQXRHNCFOFTQD-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59985M |
| Solvent | CDCl3 |