![allyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-furyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/EIVAZIjRP3/structure.png?h=300&w=458 "allyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-furyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | CYW2hB5LfOa |
|---|---|
| InChI | InChI=1S/C23H27N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3,7,10,12,16,21,25H,1,4-6,8-9,11,14H2,2H3,(H,26,27) |
| InChIKey | LWOOODNNKAWLKJ-UHFFFAOYSA-N |
| Mol Weight | 441.55 g/mol |
| Molecular Formula | C23H27N3O4S |
| Exact Mass | 441.172228 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | EIVAZIjRP3 |
|---|---|
| Name | allyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-furyl)-2-methyl-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 | 441.172227531 u |
| Formula | C23H27N3O4S |
| InChI | InChI=1S/C23H27N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3,7,10,12,16,21,25H,1,4-6,8-9,11,14H2,2H3,(H,26,27) |
| InChIKey | LWOOODNNKAWLKJ-UHFFFAOYSA-N |
| Molecular Weight | 441.546 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1750 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278345 |