![ethyl 6-({2-[4-(acetylamino)anilino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/7oEh1e7lmYd/structure.png?h=300&w=458 "ethyl 6-({2-[4-(acetylamino)anilino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | IyeQmoyJ9ri |
|---|---|
| InChI | InChI=1S/C31H27ClN4O4S/c1-3-40-31(39)28-27(23-11-7-8-12-25(23)32)24(17-33)30(36-29(28)20-9-5-4-6-10-20)41-18-26(38)35-22-15-13-21(14-16-22)34-19(2)37/h4-16,27,36H,3,18H2,1-2H3,(H,34,37)(H,35,38) |
| InChIKey | HDEDVXRQIJVMEO-UHFFFAOYSA-N |
| Mol Weight | 587.09 g/mol |
| Molecular Formula | C31H27ClN4O4S |
| Exact Mass | 586.144154 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7oEh1e7lmYd |
|---|---|
| Name | ethyl 6-({2-[4-(acetylamino)anilino]-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 | 586.144154235 u |
| Formula | C31H27ClN4O4S |
| InChI | InChI=1S/C31H27ClN4O4S/c1-3-40-31(39)28-27(23-11-7-8-12-25(23)32)24(17-33)30(36-29(28)20-9-5-4-6-10-20)41-18-26(38)35-22-15-13-21(14-16-22)34-19(2)37/h4-16,27,36H,3,18H2,1-2H3,(H,34,37)(H,35,38) |
| InChIKey | HDEDVXRQIJVMEO-UHFFFAOYSA-N |
| Molecular Weight | 587.094 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1680 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278259 |