![allyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/2nkPuoD8E7d/structure.png?h=300&w=458 "allyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | GaKfTh3Ah7n |
|---|---|
| InChI | InChI=1S/C26H24FN3O5S/c1-4-11-35-26(33)23-15(2)29-25(36-14-22(32)30-18-8-6-17(27)7-9-18)19(13-28)24(23)16-5-10-20(31)21(12-16)34-3/h4-10,12,24,29,31H,1,11,14H2,2-3H3,(H,30,32) |
| InChIKey | QPRZVLASJCTTEO-UHFFFAOYSA-N |
| Mol Weight | 509.55 g/mol |
| Molecular Formula | C26H24FN3O5S |
| Exact Mass | 509.14207 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 2nkPuoD8E7d |
|---|---|
| Name | allyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-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 | 509.142070217 u |
| Formula | C26H24FN3O5S |
| InChI | InChI=1S/C26H24FN3O5S/c1-4-11-35-26(33)23-15(2)29-25(36-14-22(32)30-18-8-6-17(27)7-9-18)19(13-28)24(23)16-5-10-20(31)21(12-16)34-3/h4-10,12,24,29,31H,1,11,14H2,2-3H3,(H,30,32) |
| InChIKey | QPRZVLASJCTTEO-UHFFFAOYSA-N |
| Molecular Weight | 509.552 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1746 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278340 |