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Ethyl 2-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID J0qXEyuQsRq
InChI InChI=1S/C28H24ClN3O3S2/c1-2-35-27(34)24-19-8-4-6-10-23(19)37-26(24)32-28(36)31-25(33)20-15-22(16-11-13-17(29)14-12-16)30-21-9-5-3-7-18(20)21/h3,5,7,9,11-15H,2,4,6,8,10H2,1H3,(H2,31,32,33,36)
InChIKey HGVXBOISTLPTHT-UHFFFAOYSA-N
Mol Weight 550.09 g/mol
Molecular Formula C28H24ClN3O3S2
Exact Mass 549.094762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1IkOM7T6Bzg
Name ethyl 2-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H24ClN3O3S2/c1-2-35-27(34)24-19-8-4-6-10-23(19)37-26(24)32-28(36)31-25(33)20-15-22(16-11-13-17(29)14-12-16)30-21-9-5-3-7-18(20)21/h3,5,7,9,11-15H,2,4,6,8,10H2,1H3,(H2,31,32,33,36)
InChIKey HGVXBOISTLPTHT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7380
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: 9686318; UBI_ID: UBI-007383
Temperature 308 °C