| SpectraBase Compound ID | JMfxaFSjFfM |
|---|---|
| InChI | InChI=1S/C16H20O2S/c1-12-5-8-15(9-6-12)19-11-14(3)13(2)7-10-16(17)18-4/h5-10H,11H2,1-4H3/b10-7+,14-13+ |
| InChIKey | AYGLYFFRUOJDGU-CDITWBNYSA-N |
| Mol Weight | 276.39 g/mol |
| Molecular Formula | C16H20O2S |
| Exact Mass | 276.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwSyBf0RDwF |
|---|---|
| Name | (2E,4E)-4,5-Dimethyl-6-(4-methylphenylthio)hexa-2,4-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.118401056 u |
| Formula | C16H20O2S |
| InChI | InChI=1S/C16H20O2S/c1-12-5-8-15(9-6-12)19-11-14(3)13(2)7-10-16(17)18-4/h5-10H,11H2,1-4H3/b10-7+,14-13+ |
| InChIKey | AYGLYFFRUOJDGU-CDITWBNYSA-N |
| Molecular Weight | 276.394 g/mol |
| SMILES | C(\C(=C\(\C=C\C(=O)OC)C)C)SC1=CC=C(C=C1)C |