![Benzene, 1-methyl-4-[[2-(phenylthio)-2-propenyl]sulfonyl]-](/api/spectrum/cqc3jYjnWX/structure.png?h=300&w=458 "Benzene, 1-methyl-4-[[2-(phenylthio)-2-propenyl]sulfonyl]-")
| SpectraBase Compound ID | 5bFAEQnfbio |
|---|---|
| InChI | InChI=1S/C16H16O2S2/c1-13-8-10-16(11-9-13)20(17,18)12-14(2)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3 |
| InChIKey | GKOWFLUMASKWGD-UHFFFAOYSA-N |
| Mol Weight | 304.42 g/mol |
| Molecular Formula | C16H16O2S2 |
| Exact Mass | 304.059172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cqc3jYjnWX |
|---|---|
| Name | Benzene, 1-methyl-4-[[2-(phenylthio)-2-propenyl]sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.059172101 u |
| Formula | C16H16O2S2 |
| InChI | InChI=1S/C16H16O2S2/c1-13-8-10-16(11-9-13)20(17,18)12-14(2)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3 |
| InChIKey | GKOWFLUMASKWGD-UHFFFAOYSA-N |
| Molecular Weight | 304.422 g/mol |
| SMILES | C(S(C=1C=CC(=CC1)C)(=O)=O)C(SC=1C=CC=CC1)=C |