| SpectraBase Compound ID | B69IYlewSQ7 |
|---|---|
| InChI | InChI=1S/C12H9NO4S/c14-12(8-11-2-1-7-18-11)17-10-5-3-9(4-6-10)13(15)16/h1-7H,8H2 |
| InChIKey | IDOPUPRJKYPXNN-UHFFFAOYSA-N |
| Mol Weight | 263.27 g/mol |
| Molecular Formula | C12H9NO4S |
| Exact Mass | 263.025229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCXJl1sEOdi |
|---|---|
| Name | 2-Thiopheneacetic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.025228944 u |
| Formula | C12H9NO4S |
| InChI | InChI=1S/C12H9NO4S/c14-12(8-11-2-1-7-18-11)17-10-5-3-9(4-6-10)13(15)16/h1-7H,8H2 |
| InChIKey | IDOPUPRJKYPXNN-UHFFFAOYSA-N |
| Molecular Weight | 263.267 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CC=1SC=CC1)=O)N(=O)=O |