![Benzene, [(1-methyl-1-pentenyl)thio]-, (Z)-](/api/spectrum/I25zUUeRKiN/structure.png?h=300&w=458 "Benzene, [(1-methyl-1-pentenyl)thio]-, (Z)-")
| SpectraBase Compound ID | J6pdi6hXW7l |
|---|---|
| InChI | InChI=1S/C12H16S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8- |
| InChIKey | JKWUPIBMSWOVOZ-FLIBITNWSA-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 | I25zUUeRKiN |
|---|---|
| Name | Benzene, [(1-methyl-1-pentenyl)thio]-, (Z)- |
| 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/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8- |
| InChIKey | JKWUPIBMSWOVOZ-FLIBITNWSA-N |
| Molecular Weight | 192.320 g/mol |
| SMILES | C(\C=C\(SC=1C=CC=CC1)C)CC |