| SpectraBase Compound ID | A4aKaNn3mBA |
|---|---|
| InChI | InChI=1S/C12H7NO2S/c13-8-9-3-5-10(6-4-9)15-12(14)11-2-1-7-16-11/h1-7H |
| InChIKey | GUYZPPJEEMOMIM-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C12H7NO2S |
| Exact Mass | 229.01975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AutOD7FJxBQ |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.019749641 u |
| Formula | C12H7NO2S |
| InChI | InChI=1S/C12H7NO2S/c13-8-9-3-5-10(6-4-9)15-12(14)11-2-1-7-16-11/h1-7H |
| InChIKey | GUYZPPJEEMOMIM-UHFFFAOYSA-N |
| Molecular Weight | 229.253 g/mol |
| SMILES | C1=CC=C(S1)C(=O)OC1=CC=C(C#N)C=C1 |