| SpectraBase Compound ID | 13bN48CtQRa |
|---|---|
| InChI | InChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17- |
| InChIKey | OHMNCRAYWDRIHW-ZCXUNETKSA-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 | KsTdCpN83OD |
|---|---|
| Name | 3-Ethyl-2-(4-methoxybenzoylimino)-1,3-benzothiazoline |
| 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/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17- |
| InChIKey | OHMNCRAYWDRIHW-ZCXUNETKSA-N |
| Molecular Weight | 312.387 g/mol |
| SMILES | C=12N(\C(SC2=CC=CC1)=N/C(C=1C=CC(=CC1)OC)=O)CC |