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ethyl 5-cyano-6-{[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(2-furyl)-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID FxkMdwHA3VZ
InChI InChI=1S/C27H21Cl2N3O4S/c1-2-35-27(34)24-23(21-9-6-12-36-21)18(14-30)26(32-25(24)16-7-4-3-5-8-16)37-15-22(33)31-20-13-17(28)10-11-19(20)29/h3-13,23,32H,2,15H2,1H3,(H,31,33)
InChIKey IIEMXQQQMSEWNX-UHFFFAOYSA-N
Mol Weight 554.45 g/mol
Molecular Formula C27H21Cl2N3O4S
Exact Mass 553.062983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E0UI3AF9FrV
Name ethyl 5-cyano-6-{[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl}-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 553.062982738 u
Formula C27H21Cl2N3O4S
InChI InChI=1S/C27H21Cl2N3O4S/c1-2-35-27(34)24-23(21-9-6-12-36-21)18(14-30)26(32-25(24)16-7-4-3-5-8-16)37-15-22(33)31-20-13-17(28)10-11-19(20)29/h3-13,23,32H,2,15H2,1H3,(H,31,33)
InChIKey IIEMXQQQMSEWNX-UHFFFAOYSA-N
Molecular Weight 554.448 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1702
Solvent DMSO-d6
Source Vendor ID: NMR/12278283