![1,1-bis(Methylthio)-2-{4'-[2''-methoxycarbonyl)ethenyl]benzoyl}ethene](/api/spectrum/LjavkCfwcSW/structure.png?h=300&w=458 "1,1-bis(Methylthio)-2-{4'-[2''-methoxycarbonyl)ethenyl]benzoyl}ethene")
| SpectraBase Compound ID | IwO003ok1n |
|---|---|
| InChI | InChI=1S/C15H16O3S2/c1-18-14(17)9-6-11-4-7-12(8-5-11)13(16)10-15(19-2)20-3/h4-10H,1-3H3/b9-6+ |
| InChIKey | IKYZSOMQGKJGBO-RMKNXTFCSA-N |
| Mol Weight | 308.41 g/mol |
| Molecular Formula | C15H16O3S2 |
| Exact Mass | 308.054087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjavkCfwcSW |
|---|---|
| Name | 1,1-bis(Methylthio)-2-{4'-[2''-methoxycarbonyl)ethenyl]benzoyl}ethene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.054086720 u |
| Formula | C15H16O3S2 |
| InChI | InChI=1S/C15H16O3S2/c1-18-14(17)9-6-11-4-7-12(8-5-11)13(16)10-15(19-2)20-3/h4-10H,1-3H3/b9-6+ |
| InChIKey | IKYZSOMQGKJGBO-RMKNXTFCSA-N |
| SMILES | C(C(C=1C=CC(\C=C\C(=O)OC)=CC1)=O)=C(SC)SC |