| SpectraBase Compound ID | HFDUTZ42Myb |
|---|---|
| InChI | InChI=1S/C13H9NO2S/c14-9-10-3-5-11(6-4-10)16-13(15)8-12-2-1-7-17-12/h1-7H,8H2 |
| InChIKey | JBODTVOYLPKLIS-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C13H9NO2S |
| Exact Mass | 243.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TweP3NllGd |
|---|---|
| Name | 2-Thiopheneacetic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.035399706 u |
| Formula | C13H9NO2S |
| InChI | InChI=1S/C13H9NO2S/c14-9-10-3-5-11(6-4-10)16-13(15)8-12-2-1-7-17-12/h1-7H,8H2 |
| InChIKey | JBODTVOYLPKLIS-UHFFFAOYSA-N |
| Molecular Weight | 243.280 g/mol |
| SMILES | C1=CC=C(S1)CC(OC=1C=CC(C#N)=CC1)=O |