![[(E)-2-(allylthio)vinyl]benzene](/api/spectrum/A67mlSHShXZ/structure.png?h=300&w=458 "[(E)-2-(allylthio)vinyl]benzene")
| SpectraBase Compound ID | 2u5eD5EyE6q |
|---|---|
| InChI | InChI=1S/C11H12S/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10H,1,9H2/b10-8+ |
| InChIKey | FMKRJXZBZDZTRO-CSKARUKUSA-N |
| Mol Weight | 176.28 g/mol |
| Molecular Formula | C11H12S |
| Exact Mass | 176.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A67mlSHShXZ |
|---|---|
| Name | [(E)-2-(Allylthio)vinyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.065971560 u |
| Formula | C11H12S |
| InChI | InChI=1S/C11H12S/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10H,1,9H2/b10-8+ |
| InChIKey | FMKRJXZBZDZTRO-CSKARUKUSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | C=1(\C=C\SCC=C)C=CC=CC1 |