![2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide](/api/spectrum/K1YVeWoIORq/structure.png?h=300&w=458 "2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide")
| SpectraBase Compound ID | 3NaJfDLtJQg |
|---|---|
| InChI | InChI=1S/C23H20F3N3O4S/c1-2-33-19-8-13(6-7-18(19)30)16-10-20(31)29-22(17(16)11-27)34-12-21(32)28-15-5-3-4-14(9-15)23(24,25)26/h3-9,16,30H,2,10,12H2,1H3,(H,28,32)(H,29,31) |
| InChIKey | WFQSLJKIFHXSCC-UHFFFAOYSA-N |
| Mol Weight | 491.49 g/mol |
| Molecular Formula | C23H20F3N3O4S |
| Exact Mass | 491.112662 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | K1YVeWoIORq |
|---|---|
| Name | 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.112661795 u |
| Formula | C23H20F3N3O4S |
| InChI | InChI=1S/C23H20F3N3O4S/c1-2-33-19-8-13(6-7-18(19)30)16-10-20(31)29-22(17(16)11-27)34-12-21(32)28-15-5-3-4-14(9-15)23(24,25)26/h3-9,16,30H,2,10,12H2,1H3,(H,28,32)(H,29,31) |
| InChIKey | WFQSLJKIFHXSCC-UHFFFAOYSA-N |
| Molecular Weight | 491.485 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1741 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278333 |