![1-{[1,4-DIHYDRO-1-ETHYL-4-OXO-6-(TRIFLUOROMETHYL)-3-QUINOLYL]CARBONYL}-3-THIO-4-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)SEMICARBAZIDE](/api/spectrum/EHqZed5WurS/structure.png?h=300&w=458 "1-{[1,4-DIHYDRO-1-ETHYL-4-OXO-6-(TRIFLUOROMETHYL)-3-QUINOLYL]CARBONYL}-3-THIO-4-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)SEMICARBAZIDE")
| SpectraBase Compound ID | DoKeVegthQm |
|---|---|
| InChI | InChI=1S/C21H16F6N4O2S/c1-2-31-10-13(17(32)12-9-11(20(22,23)24)7-8-16(12)31)18(33)29-30-19(34)28-15-6-4-3-5-14(15)21(25,26)27/h3-10H,2H2,1H3,(H,29,33)(H2,28,30,34) |
| InChIKey | FLSRDVLDEHNIDA-UHFFFAOYSA-N |
| Mol Weight | 502.44 g/mol |
| Molecular Formula | C21H16F6N4O2S |
| Exact Mass | 502.089816 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHqZed5WurS |
|---|---|
| Name | 1-{[1,4-dihydro-1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolyl]carbonyl}-3-thio-4-(alpha,alpha,alpha-trifluoro-o-tolyl)semicarbazide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16F6N4O2S |
| InChI | InChI=1S/C21H16F6N4O2S/c1-2-31-10-13(17(32)12-9-11(20(22,23)24)7-8-16(12)31)18(33)29-30-19(34)28-15-6-4-3-5-14(15)21(25,26)27/h3-10H,2H2,1H3,(H,29,33)(H2,28,30,34) |
| InChIKey | FLSRDVLDEHNIDA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56119M |
| Solvent | Polysol |