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4-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-2-(4-chlorophenyl)quinoline
SpectraBase Compound ID BlYpcViljgD
InChI InChI=1S/C24H19ClN6O3S2/c25-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)29-21)22(32)30-24(35)28-16-9-11-17(12-10-16)36(33,34)31-23(26)27/h1-13H,(H4,26,27,31)(H2,28,30,32,35)
InChIKey IRDDXZIJZSVJLI-UHFFFAOYSA-N
Mol Weight 539.03 g/mol
Molecular Formula C24H19ClN6O3S2
Exact Mass 538.064859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H06Vd9yZuq
Name 4-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-2-(4-chlorophenyl)quinoline
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/C24H19ClN6O3S2/c25-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)29-21)22(32)30-24(35)28-16-9-11-17(12-10-16)36(33,34)31-23(26)27/h1-13H,(H4,26,27,31)(H2,28,30,32,35)
InChIKey IRDDXZIJZSVJLI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9022
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: 1001719; UBI_ID: UBI-009025
Temperature 313 °C