| SpectraBase Compound ID | FNs6PiYc5Pg |
|---|---|
| InChI | InChI=1S/C11H7Cl2NO2S/c1-16-11(15)10-14-9(5-17-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3 |
| InChIKey | QPXQHWLBJQGHNI-UHFFFAOYSA-N |
| Mol Weight | 288.15 g/mol |
| Molecular Formula | C11H7Cl2NO2S |
| Exact Mass | 286.957455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tEpuBqvvCk |
|---|---|
| Name | 4-(2,4-Dichlorophenyl)-1,3-thiazole-2-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.957455041 u |
| Formula | C11H7Cl2NO2S |
| InChI | InChI=1S/C11H7Cl2NO2S/c1-16-11(15)10-14-9(5-17-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3 |
| InChIKey | QPXQHWLBJQGHNI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C=2N=C(C(OC)=O)SC2)C=CC(=C1)Cl |