![1-Methyl-4-[(1Z)-1-pentenylsulfonyl]benzene](/api/spectrum/KYY7JXaLZKa/structure.png?h=300&w=458 "1-Methyl-4-[(1Z)-1-pentenylsulfonyl]benzene")
| SpectraBase Compound ID | GKJ5lkNQEx7 |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h5-10H,3-4H2,1-2H3/b10-5- |
| InChIKey | GPYOVBIAHTZYRO-YHYXMXQVSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYY7JXaLZKa |
|---|---|
| Name | 1-Methyl-4-[(1Z)-1-pentenylsulfonyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h5-10H,3-4H2,1-2H3/b10-5- |
| InChIKey | GPYOVBIAHTZYRO-YHYXMXQVSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C(\C=C/S(=O)(=O)C=1C=CC(C)=CC1)CC |