| SpectraBase Compound ID | LK38Is3W65w |
|---|---|
| InChI | InChI=1S/C11H12S2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- |
| InChIKey | XDCFCZNDIXAFBH-HJWRWDBZSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C11H12S2 |
| Exact Mass | 208.038043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aw83rQSqGe9 |
|---|---|
| Name | Methyl 3-phenyl-dithio-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.038042734 u |
| Formula | C11H12S2 |
| InChI | InChI=1S/C11H12S2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- |
| InChIKey | XDCFCZNDIXAFBH-HJWRWDBZSA-N |
| Molecular Weight | 208.337 g/mol |
| SMILES | C1(\C(=C/C(=S)SC)C)=CC=CC=C1 |