| SpectraBase Compound ID | 3LfcfzSXsWI |
|---|---|
| InChI | InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- |
| InChIKey | LNWWTJYGGYLSAP-HJWRWDBZSA-N |
| Mol Weight | 208.27 g/mol |
| Molecular Formula | C11H12O2S |
| Exact Mass | 208.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7iY004bnMae |
|---|---|
| Name | Methyl-(Z)-3-phenylthio-2-butenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.055800798 u |
| Formula | C11H12O2S |
| InChI | InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- |
| InChIKey | LNWWTJYGGYLSAP-HJWRWDBZSA-N |
| Molecular Weight | 208.275 g/mol |
| SMILES | COC(=O)\C=C\(SC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804695 |