| SpectraBase Compound ID | BQB629TV9Ru |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-2-15-13(14)9-6-10-16-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+ |
| InChIKey | PZOWVZKZSXXTKB-RMKNXTFCSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Vj1HMR03yk |
|---|---|
| Name | Ethyl (E)-4-benzylthio-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.087100927 u |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-2-15-13(14)9-6-10-16-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+ |
| InChIKey | PZOWVZKZSXXTKB-RMKNXTFCSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C(\C=C\CSCC=1C=CC=CC1)(=O)OCC |