![(2E)-1-(2-furyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one](/api/spectrum/5A1pHLZfhTe/structure.png?h=300&w=458 "(2E)-1-(2-furyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one")
| SpectraBase Compound ID | 7Y00JN5jVes |
|---|---|
| InChI | InChI=1S/C14H12O2S/c1-17-12-7-4-11(5-8-12)6-9-13(15)14-3-2-10-16-14/h2-10H,1H3/b9-6+ |
| InChIKey | SCYQNFXYHAEOPR-RMKNXTFCSA-N |
| Mol Weight | 244.31 g/mol |
| Molecular Formula | C14H12O2S |
| Exact Mass | 244.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5A1pHLZfhTe |
|---|---|
| Name | (2E)-1-(2-Furyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.055800798 u |
| Formula | C14H12O2S |
| InChI | InChI=1S/C14H12O2S/c1-17-12-7-4-11(5-8-12)6-9-13(15)14-3-2-10-16-14/h2-10H,1H3/b9-6+ |
| InChIKey | SCYQNFXYHAEOPR-RMKNXTFCSA-N |
| Molecular Weight | 244.308 g/mol |
| SMILES | C=1(C(\C=C\C=2C=CC(=CC2)SC)=O)OC=CC1 |