![3-hydroxybenzo[b]thiophene-2-carboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate](/api/spectrum/QpyZay59dP/structure.png?h=300&w=458 "3-hydroxybenzo[b]thiophene-2-carboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate")
| SpectraBase Compound ID | Coe57V4s50V |
|---|---|
| InChI | InChI=1S/C21H13Cl2NO5S/c1-10-15(17(24-29-10)16-12(22)7-5-8-13(16)23)20(25)28-18-11-6-3-4-9-14(11)30-19(18)21(26)27-2/h3-9H,1-2H3 |
| InChIKey | IWXOVISRCOKPOD-UHFFFAOYSA-N |
| Mol Weight | 462.3 g/mol |
| Molecular Formula | C21H13Cl2NO5S |
| Exact Mass | 460.989149 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QpyZay59dP |
|---|---|
| Name | 3-hydroxybenzo[b]thiophene-2-carboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H13Cl2NO5S |
| InChI | InChI=1S/C21H13Cl2NO5S/c1-10-15(17(24-29-10)16-12(22)7-5-8-13(16)23)20(25)28-18-11-6-3-4-9-14(11)30-19(18)21(26)27-2/h3-9H,1-2H3 |
| InChIKey | IWXOVISRCOKPOD-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48148M |
| Solvent | CDCl3 |