![4-{1-[(2,4-difluorophenyl)sulfonyl]pyrazol-3-yl}-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/DYkC2MdyHEP/structure.png?h=300&w=458 "4-{1-[(2,4-difluorophenyl)sulfonyl]pyrazol-3-yl}-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | AFwvYSETtNh |
|---|---|
| InChI | InChI=1S/C17H14F2N2O4S3/c1-9-14(17(26-3)27-15(9)16(22)25-2)12-6-7-21(20-12)28(23,24)13-5-4-10(18)8-11(13)19/h4-8H,1-3H3 |
| InChIKey | UVUGLDFRSRHTRK-UHFFFAOYSA-N |
| Mol Weight | 444.49 g/mol |
| Molecular Formula | C17H14F2N2O4S3 |
| Exact Mass | 444.008377 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYkC2MdyHEP |
|---|---|
| Name | 4-{1-[(2,4-difluorophenyl)sulfonyl]pyrazol-3-yl}-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H14F2N2O4S3 |
| InChI | InChI=1S/C17H14F2N2O4S3/c1-9-14(17(26-3)27-15(9)16(22)25-2)12-6-7-21(20-12)28(23,24)13-5-4-10(18)8-11(13)19/h4-8H,1-3H3 |
| InChIKey | UVUGLDFRSRHTRK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48726M |
| Solvent | CDCl3 |