| SpectraBase Compound ID | A89FLiXW8Vf |
|---|---|
| InChI | InChI=1S/C12H12N2O3S/c1-2-17-11(16)7-10(15)14-12-13-8-5-3-4-6-9(8)18-12/h3-6H,2,7H2,1H3,(H,13,14,15) |
| InChIKey | NVCMBFZXLYWPCU-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C12H12N2O3S |
| Exact Mass | 264.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kqTykprUpU |
|---|---|
| Name | 3-(1,3-Benzothiazol-2-ylamino)-3-keto-propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.056863425 u |
| Formula | C12H12N2O3S |
| InChI | InChI=1S/C12H12N2O3S/c1-2-17-11(16)7-10(15)14-12-13-8-5-3-4-6-9(8)18-12/h3-6H,2,7H2,1H3,(H,13,14,15) |
| InChIKey | NVCMBFZXLYWPCU-UHFFFAOYSA-N |
| SMILES | C1(=NC2=CC=CC=C2S1)NC(CC(=O)OCC)=O |