![1-methyl-4-[(E)-2-(methylsulfanyl)ethenyl]benzene](/api/spectrum/KzdKbjYw9b0/structure.png?h=300&w=458 "1-methyl-4-[(E)-2-(methylsulfanyl)ethenyl]benzene")
| SpectraBase Compound ID | GEYOSMQcWIB |
|---|---|
| InChI | InChI=1S/C10H12S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H,1-2H3/b8-7+ |
| InChIKey | UUOBEZAFKAWOIC-BQYQJAHWSA-N |
| Mol Weight | 164.27 g/mol |
| Molecular Formula | C10H12S |
| Exact Mass | 164.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzdKbjYw9b0 |
|---|---|
| Name | 1-Methyl-4-[(E)-2-(methylsulfanyl)ethenyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.065971560 u |
| Formula | C10H12S |
| InChI | InChI=1S/C10H12S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H,1-2H3/b8-7+ |
| InChIKey | UUOBEZAFKAWOIC-BQYQJAHWSA-N |
| Molecular Weight | 164.266 g/mol |
| SMILES | C1(\C=C\SC)=CC=C(C=C1)C |