![4-{[3-(Ethoxycarbonyl)-5-propyl-2-thienyl]amino}-4-oxobutanoic acid](/api/spectrum/B3rNtNXhThS/structure.png?h=300&w=458 "4-{[3-(Ethoxycarbonyl)-5-propyl-2-thienyl]amino}-4-oxobutanoic acid")
| SpectraBase Compound ID | 9QAmVZpswtT |
|---|---|
| InChI | InChI=1S/C14H19NO5S/c1-3-5-9-8-10(14(19)20-4-2)13(21-9)15-11(16)6-7-12(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | OMONWXJVIHBCFS-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C14H19NO5S |
| Exact Mass | 313.098394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3rNtNXhThS |
|---|---|
| Name | 4-{[3-(Ethoxycarbonyl)-5-propyl-2-thienyl]amino}-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.098393885 u |
| Formula | C14H19NO5S |
| InChI | InChI=1S/C14H19NO5S/c1-3-5-9-8-10(14(19)20-4-2)13(21-9)15-11(16)6-7-12(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | OMONWXJVIHBCFS-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=C(CCC)S1)C(=O)OCC)C(CCC(=O)O)=O |