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4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoic acid
SpectraBase Compound ID AbNxLyAFc1i
InChI InChI=1S/C24H16ClN3O3S/c25-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)22(29)28-24(32)26-17-11-7-15(8-12-17)23(30)31/h1-13H,(H,30,31)(H2,26,28,29,32)
InChIKey KHMBOGTUWOTHDG-UHFFFAOYSA-N
Mol Weight 461.92 g/mol
Molecular Formula C24H16ClN3O3S
Exact Mass 461.06009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21zJF2waOcx
Name 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoic acid
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/C24H16ClN3O3S/c25-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)22(29)28-24(32)26-17-11-7-15(8-12-17)23(30)31/h1-13H,(H,30,31)(H2,26,28,29,32)
InChIKey KHMBOGTUWOTHDG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9019
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: 1001685; UBI_ID: UBI-009022
Temperature 313 °C