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ethyl 6-[(4-bromobenzyl)sulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID C5bqN6wyUFw
InChI InChI=1S/C21H19BrN2O2S2/c1-3-26-21(25)18-13(2)24-20(28-12-14-6-8-15(22)9-7-14)16(11-23)19(18)17-5-4-10-27-17/h4-10,19,24H,3,12H2,1-2H3
InChIKey QIHJCWFVFRMXOV-UHFFFAOYSA-N
Mol Weight 475.42 g/mol
Molecular Formula C21H19BrN2O2S2
Exact Mass 474.007133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKAYwl3OGR5
Name ethyl 6-[(4-bromobenzyl)sulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-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/C21H19BrN2O2S2/c1-3-26-21(25)18-13(2)24-20(28-12-14-6-8-15(22)9-7-14)16(11-23)19(18)17-5-4-10-27-17/h4-10,19,24H,3,12H2,1-2H3
InChIKey QIHJCWFVFRMXOV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_974
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: ZI/8164043; Labnumber: TSH-f000738
Temperature 303 °C