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tert-butyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate

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tert-butyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 1O3THlPZvx5
InChI InChI=1S/C26H25BrClN3O3S/c1-15-22(25(33)34-26(2,3)4)23(16-5-9-18(28)10-6-16)20(13-29)24(30-15)35-14-21(32)31-19-11-7-17(27)8-12-19/h5-12,23,30H,14H2,1-4H3,(H,31,32)
InChIKey JKAMAFBNALMRMY-UHFFFAOYSA-N
Mol Weight 574.92 g/mol
Molecular Formula C26H25BrClN3O3S
Exact Mass 573.048854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LkG1fI34KQB
Name tert-butyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H25BrClN3O3S/c1-15-22(25(33)34-26(2,3)4)23(16-5-9-18(28)10-6-16)20(13-29)24(30-15)35-14-21(32)31-19-11-7-17(27)8-12-19/h5-12,23,30H,14H2,1-4H3,(H,31,32)
InChIKey JKAMAFBNALMRMY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1809
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9253179; Labnumber: KR-0000031
Temperature 303 °C