![Thiophene-2-carboxylic acid, [2-(4-nitrophenyl)-2-oxo]ethyl ester](/api/spectrum/JWO33MqckD3/structure.png?h=300&w=458 "Thiophene-2-carboxylic acid, [2-(4-nitrophenyl)-2-oxo]ethyl ester")
| SpectraBase Compound ID | LTVYdIuuu9f |
|---|---|
| InChI | InChI=1S/C13H9NO5S/c15-11(8-19-13(16)12-2-1-7-20-12)9-3-5-10(6-4-9)14(17)18/h1-7H,8H2 |
| InChIKey | JNGBQRAIKAOVCG-UHFFFAOYSA-N |
| Mol Weight | 291.28 g/mol |
| Molecular Formula | C13H9NO5S |
| Exact Mass | 291.020144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWO33MqckD3 |
|---|---|
| Name | Thiophene-2-carboxylic acid, [2-(4-nitrophenyl)-2-oxo]ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.020143563 u |
| Formula | C13H9NO5S |
| InChI | InChI=1S/C13H9NO5S/c15-11(8-19-13(16)12-2-1-7-20-12)9-3-5-10(6-4-9)14(17)18/h1-7H,8H2 |
| InChIKey | JNGBQRAIKAOVCG-UHFFFAOYSA-N |
| SMILES | C1=CC(N(=O)=O)=CC=C1C(=O)COC(C=1SC=CC1)=O |