| SpectraBase Compound ID | qtypmrycn6 |
|---|---|
| InChI | InChI=1S/C12H16S/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-9,11H,2-3,10H2,1H3/b11-9+ |
| InChIKey | VDVICULUTXTMQB-PKNBQFBNSA-N |
| Mol Weight | 192.32 g/mol |
| Molecular Formula | C12H16S |
| Exact Mass | 192.097272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wNFG4JpFad |
|---|---|
| Name | {[2'-(Butylthio)ethenyl}-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.097271689 u |
| Formula | C12H16S |
| InChI | InChI=1S/C12H16S/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-9,11H,2-3,10H2,1H3/b11-9+ |
| InChIKey | VDVICULUTXTMQB-PKNBQFBNSA-N |
| Molecular Weight | 192.320 g/mol |
| SMILES | C1(\C=C\SCCCC)=CC=CC=C1 |