| SpectraBase Compound ID | BnEkVCPSFaT |
|---|---|
| InChI | InChI=1S/C17H16N2O2S/c1-3-21-17(20)18-13-7-5-12(6-8-13)16-19-14-9-4-11(2)10-15(14)22-16/h4-10H,3H2,1-2H3,(H,18,20) |
| InChIKey | KDFTZXJPBNANFN-UHFFFAOYSA-N |
| Mol Weight | 312.39 g/mol |
| Molecular Formula | C17H16N2O2S |
| Exact Mass | 312.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EC17NI5fA |
|---|---|
| Name | 2-(4-Ethoxycarbamidophenyl)-7-methylbenzo-1,3-thiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.093248935 u |
| Formula | C17H16N2O2S |
| InChI | InChI=1S/C17H16N2O2S/c1-3-21-17(20)18-13-7-5-12(6-8-13)16-19-14-9-4-11(2)10-15(14)22-16/h4-10H,3H2,1-2H3,(H,18,20) |
| InChIKey | KDFTZXJPBNANFN-UHFFFAOYSA-N |
| SMILES | N(C(=O)OCC)c1ccc(C2=Nc3ccc(cc3S2)C)cc1 |