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butyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID LKgnM8dpgf4
InChI InChI=1S/C31H31N3O4S/c1-4-5-17-37-30(36)21-13-15-23(16-14-21)32-31(39)34-29(35)26-19-28(33-27-12-7-6-11-25(26)27)22-9-8-10-24(18-22)38-20(2)3/h6-16,18-20H,4-5,17H2,1-3H3,(H2,32,34,35,39)
InChIKey WYWKGWUHBOFUGG-UHFFFAOYSA-N
Mol Weight 541.67 g/mol
Molecular Formula C31H31N3O4S
Exact Mass 541.203528 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WKUSrv1LUQ
Name butyl 4-{[({[2-(3-isopropoxyphenyl)-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/C31H31N3O4S/c1-4-5-17-37-30(36)21-13-15-23(16-14-21)32-31(39)34-29(35)26-19-28(33-27-12-7-6-11-25(26)27)22-9-8-10-24(18-22)38-20(2)3/h6-16,18-20H,4-5,17H2,1-3H3,(H2,32,34,35,39)
InChIKey WYWKGWUHBOFUGG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7353
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: 9686359; UBI_ID: UBI-007356
Temperature 308 °C