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butyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID KfITnUhlmCY
InChI InChI=1S/C28H24ClN3O3S/c1-2-3-16-35-27(34)19-10-14-21(15-11-19)30-28(36)32-26(33)23-17-25(18-8-12-20(29)13-9-18)31-24-7-5-4-6-22(23)24/h4-15,17H,2-3,16H2,1H3,(H2,30,32,33,36)
InChIKey PKGJDAUYMGTGRW-UHFFFAOYSA-N
Mol Weight 518.03 g/mol
Molecular Formula C28H24ClN3O3S
Exact Mass 517.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BYl1NT8n3F5
Name butyl 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/C28H24ClN3O3S/c1-2-3-16-35-27(34)19-10-14-21(15-11-19)30-28(36)32-26(33)23-17-25(18-8-12-20(29)13-9-18)31-24-7-5-4-6-22(23)24/h4-15,17H,2-3,16H2,1H3,(H2,30,32,33,36)
InChIKey PKGJDAUYMGTGRW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9015
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: 1001175; UBI_ID: UBI-009018
Temperature 313 °C