| SpectraBase Compound ID | 2bfJnzDt7T2 |
|---|---|
| InChI | InChI=1S/C16H14O3S/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+ |
| InChIKey | KGGQFROOWCKPNR-RUDMXATFSA-N |
| Mol Weight | 286.34 g/mol |
| Molecular Formula | C16H14O3S |
| Exact Mass | 286.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRXj4dWyEgZ |
|---|---|
| Name | 1-(2, 4-Dihydroxy-phenyl)-3-(4-methylthio-phenyl)-propene-L-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.066365482 u |
| Formula | C16H14O3S |
| InChI | InChI=1S/C16H14O3S/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+ |
| InChIKey | KGGQFROOWCKPNR-RUDMXATFSA-N |
| SMILES | C=1(C(=CC(=CC1)O)O)C(\C=C\C1=CC=C(C=C1)SC)=O |