| SpectraBase Compound ID | EWCeBokyiET |
|---|---|
| InChI | InChI=1S/C18H15NO2S/c1-2-21-18(20)17-15(13-9-5-3-6-10-13)16(19-22-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3 |
| InChIKey | ZZMAHBILTPPCKE-UHFFFAOYSA-N |
| Mol Weight | 309.38 g/mol |
| Molecular Formula | C18H15NO2S |
| Exact Mass | 309.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gku7D0T8YWh |
|---|---|
| Name | Ethyl 3,4-diphenylisothiazole-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.082349899 u |
| Formula | C18H15NO2S |
| InChI | InChI=1S/C18H15NO2S/c1-2-21-18(20)17-15(13-9-5-3-6-10-13)16(19-22-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3 |
| InChIKey | ZZMAHBILTPPCKE-UHFFFAOYSA-N |
| Molecular Weight | 309.383 g/mol |
| SMILES | C1(=C(C(C=2C=CC=CC2)=NS1)C1=CC=CC=C1)C(=O)OCC |