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methyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID BYEt236M3GZ
InChI InChI=1S/C25H18ClN3O3S/c1-32-24(31)16-8-12-18(13-9-16)27-25(33)29-23(30)20-14-22(15-6-10-17(26)11-7-15)28-21-5-3-2-4-19(20)21/h2-14H,1H3,(H2,27,29,30,33)
InChIKey CRBMHGXMLLNFRO-UHFFFAOYSA-N
Mol Weight 475.95 g/mol
Molecular Formula C25H18ClN3O3S
Exact Mass 475.07574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ib4zFQIUgI
Name methyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
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/C25H18ClN3O3S/c1-32-24(31)16-8-12-18(13-9-16)27-25(33)29-23(30)20-14-22(15-6-10-17(26)11-7-15)28-21-5-3-2-4-19(20)21/h2-14H,1H3,(H2,27,29,30,33)
InChIKey CRBMHGXMLLNFRO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9027
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: 1001644; UBI_ID: UBI-009030
Temperature 313 °C