![(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(methylthio)-2-propenamide](/api/spectrum/CaUNtg50zNY/structure.png?h=300&w=458 "(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-(methylthio)-2-propenamide")
| SpectraBase Compound ID | F0oP2TaEYD1 |
|---|---|
| InChI | InChI=1S/C12H15NO2S/c1-16-9-7-12(15)13-8-6-10-2-4-11(14)5-3-10/h2-5,7,9,14H,6,8H2,1H3,(H,13,15)/b9-7+ |
| InChIKey | YFJPFCNLHXBMIK-VQHVLOKHSA-N |
| Mol Weight | 237.32 g/mol |
| Molecular Formula | C12H15NO2S |
| Exact Mass | 237.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaUNtg50zNY |
|---|---|
| Name | (E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-(methylthio)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.082349899 u |
| Formula | C12H15NO2S |
| InChI | InChI=1S/C12H15NO2S/c1-16-9-7-12(15)13-8-6-10-2-4-11(14)5-3-10/h2-5,7,9,14H,6,8H2,1H3,(H,13,15)/b9-7+ |
| InChIKey | YFJPFCNLHXBMIK-VQHVLOKHSA-N |
| Molecular Weight | 237.317 g/mol |
| SMILES | C(\C=C\SC)(=O)NCCC=1C=CC(=CC1)O |