![4-hydroxy-2-[(methylthio)methyl]-N-(2-thiazolyl)-8-(trifluoromethyl)- 3-quinolinecarboxamide](/api/spectrum/K7wGRxZAS5g/structure.png?h=300&w=458 "4-hydroxy-2-[(methylthio)methyl]-N-(2-thiazolyl)-8-(trifluoromethyl)- 3-quinolinecarboxamide")
| SpectraBase Compound ID | 8XBjkwoGGI |
|---|---|
| InChI | InChI=1S/C16H12F3N3O2S2/c1-25-7-10-11(14(24)22-15-20-5-6-26-15)13(23)8-3-2-4-9(12(8)21-10)16(17,18)19/h2-6H,7H2,1H3,(H,21,23)(H,20,22,24) |
| InChIKey | XZWNQJYGDPFPFJ-UHFFFAOYSA-N |
| Mol Weight | 399.41 g/mol |
| Molecular Formula | C16H12F3N3O2S2 |
| Exact Mass | 399.032303 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7wGRxZAS5g |
|---|---|
| Name | 4-hydroxy-2-[(methylthio)methyl]-N-(2-thiazolyl)-8-(trifluoromethyl)- 3-quinolinecarboxamide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12F3N3O2S2 |
| InChI | InChI=1S/C16H12F3N3O2S2/c1-25-7-10-11(14(24)22-15-20-5-6-26-15)13(23)8-3-2-4-9(12(8)21-10)16(17,18)19/h2-6H,7H2,1H3,(H,21,23)(H,20,22,24) |
| InChIKey | XZWNQJYGDPFPFJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 47555M |
| Solvent | DMSO-d6 |