| SpectraBase Compound ID | 6EXghCQhkcx |
|---|---|
| InChI | InChI=1S/C10H9NO2S/c1-7-3-4-14-9(7)5-8(6-11)10(12)13-2/h3-5H,1-2H3/b8-5+ |
| InChIKey | IRHGJQJMVSTMMC-VMPITWQZSA-N |
| Mol Weight | 207.25 g/mol |
| Molecular Formula | C10H9NO2S |
| Exact Mass | 207.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERt23WkZhdN |
|---|---|
| Name | Prop-2-enoic acid, 2-cyano-3-(3-methyl-2-thienyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.035399706 u |
| Formula | C10H9NO2S |
| InChI | InChI=1S/C10H9NO2S/c1-7-3-4-14-9(7)5-8(6-11)10(12)13-2/h3-5H,1-2H3/b8-5+ |
| InChIKey | IRHGJQJMVSTMMC-VMPITWQZSA-N |
| Molecular Weight | 207.247 g/mol |
| SMILES | C1(\C=C\(C(=O)OC)C#N)=C(C=CS1)C |