![ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/1FlSbTAIlOa/structure.png?h=300&w=458 "ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | 3S9Vy4hJljo |
|---|---|
| InChI | InChI=1S/C33H32ClN3O3S/c1-3-5-11-22-16-18-24(19-17-22)36-28(38)21-41-32-26(20-35)29(25-14-9-10-15-27(25)34)30(33(39)40-4-2)31(37-32)23-12-7-6-8-13-23/h6-10,12-19,29,37H,3-5,11,21H2,1-2H3,(H,36,38) |
| InChIKey | VYWATVMDMVWKPO-UHFFFAOYSA-N |
| Mol Weight | 586.2 g/mol |
| Molecular Formula | C33H32ClN3O3S |
| Exact Mass | 585.185291 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1FlSbTAIlOa |
|---|---|
| Name | ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 585.185290773 u |
| Formula | C33H32ClN3O3S |
| InChI | InChI=1S/C33H32ClN3O3S/c1-3-5-11-22-16-18-24(19-17-22)36-28(38)21-41-32-26(20-35)29(25-14-9-10-15-27(25)34)30(33(39)40-4-2)31(37-32)23-12-7-6-8-13-23/h6-10,12-19,29,37H,3-5,11,21H2,1-2H3,(H,36,38) |
| InChIKey | VYWATVMDMVWKPO-UHFFFAOYSA-N |
| Molecular Weight | 586.150 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1686 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278265 |