![Benzene, [(3-methyl-2-butenyl)thio]-](/api/spectrum/5ScG4B6pHNP/structure.png?h=300&w=458 "Benzene, [(3-methyl-2-butenyl)thio]-")
| SpectraBase Compound ID | BhqXQ3CTeWA |
|---|---|
| InChI | InChI=1S/C11H14S/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | NYZWUNJQCIIVSA-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ScG4B6pHNP |
|---|---|
| Name | Benzene, [(3-methyl-2-butenyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | NYZWUNJQCIIVSA-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C(SC1=CC=CC=C1)C=C(C)C |