![ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/H3BIq7fVk23/structure.png?h=300&w=458 "ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | FTTl6CBu4sH |
|---|---|
| InChI | InChI=1S/C31H31N3O4S/c1-3-5-10-21-14-16-23(17-15-21)33-26(35)20-39-30-24(19-32)27(25-13-9-18-38-25)28(31(36)37-4-2)29(34-30)22-11-7-6-8-12-22/h6-9,11-18,27,34H,3-5,10,20H2,1-2H3,(H,33,35) |
| InChIKey | LNNHPKRYQUGJTR-UHFFFAOYSA-N |
| Mol Weight | 541.67 g/mol |
| Molecular Formula | C31H31N3O4S |
| Exact Mass | 541.203528 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | H3BIq7fVk23 |
|---|---|
| Name | ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-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 | 541.203527660 u |
| Formula | C31H31N3O4S |
| InChI | InChI=1S/C31H31N3O4S/c1-3-5-10-21-14-16-23(17-15-21)33-26(35)20-39-30-24(19-32)27(25-13-9-18-38-25)28(31(36)37-4-2)29(34-30)22-11-7-6-8-12-22/h6-9,11-18,27,34H,3-5,10,20H2,1-2H3,(H,33,35) |
| InChIKey | LNNHPKRYQUGJTR-UHFFFAOYSA-N |
| Molecular Weight | 541.666 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1705 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278286 |