| SpectraBase Compound ID | 2fZPJ17DV4b |
|---|---|
| InChI | InChI=1S/C20H18O3S/c1-3-23-20(21)19-17(14-7-5-4-6-8-14)13-18(24-19)15-9-11-16(22-2)12-10-15/h4-13H,3H2,1-2H3 |
| InChIKey | LRAPUKMNEGLHHY-UHFFFAOYSA-N |
| Mol Weight | 338.42 g/mol |
| Molecular Formula | C20H18O3S |
| Exact Mass | 338.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7TupfE2WIxB |
|---|---|
| Name | Ethyl 5-(4-methoxyphenyl)-3-phenylthiophene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.097665611 u |
| Formula | C20H18O3S |
| InChI | InChI=1S/C20H18O3S/c1-3-23-20(21)19-17(14-7-5-4-6-8-14)13-18(24-19)15-9-11-16(22-2)12-10-15/h4-13H,3H2,1-2H3 |
| InChIKey | LRAPUKMNEGLHHY-UHFFFAOYSA-N |
| Molecular Weight | 338.421 g/mol |
| SMILES | C1(=C(C=C(S1)C=1C=CC(=CC1)OC)C=1C=CC=CC1)C(=O)OCC |