| SpectraBase Compound ID | 7aZyeCMQFAh |
|---|---|
| InChI | InChI=1S/C8H9NO2S/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-5H,9H2,1H3/b7-5- |
| InChIKey | SHYNUHBKEGQFIY-ALCCZGGFSA-N |
| Mol Weight | 183.22 g/mol |
| Molecular Formula | C8H9NO2S |
| Exact Mass | 183.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFppSevMNjS |
|---|---|
| Name | 2-Propenoic acid, 2-amino-3-(2-thienyl)-, methyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.035399706 u |
| Formula | C8H9NO2S |
| InChI | InChI=1S/C8H9NO2S/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-5H,9H2,1H3/b7-5- |
| InChIKey | SHYNUHBKEGQFIY-ALCCZGGFSA-N |
| Molecular Weight | 183.225 g/mol |
| SMILES | C(\C(=C\C=1SC=CC1)N)(=O)OC |