| SpectraBase Compound ID | 2R8O7C494R3 |
|---|---|
| InChI | InChI=1S/C15H14O3S/c1-17-13-8-6-11(10-14(13)18-2)5-7-12(16)15-4-3-9-19-15/h3-10H,1-2H3/b7-5+ |
| InChIKey | FLHBTIDYDRABCO-FNORWQNLSA-N |
| Mol Weight | 274.33 g/mol |
| Molecular Formula | C15H14O3S |
| Exact Mass | 274.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IN3Bk9rmof |
|---|---|
| Name | (2E)-3-(3,4-Dimethoxyphenyl)-1-(2-thienyl)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.066365482 u |
| Formula | C15H14O3S |
| InChI | InChI=1S/C15H14O3S/c1-17-13-8-6-11(10-14(13)18-2)5-7-12(16)15-4-3-9-19-15/h3-10H,1-2H3/b7-5+ |
| InChIKey | FLHBTIDYDRABCO-FNORWQNLSA-N |
| SMILES | C=1(C(\C=C\C2=CC(OC)=C(C=C2)OC)=O)SC=CC1 |