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ethyl 3-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID KcWqXsWvEyg
InChI InChI=1S/C30H29N3O4S/c1-4-36-29(35)21-10-7-11-22(15-21)31-30(38)33-28(34)25-17-27(32-26-14-6-5-13-24(25)26)20-9-8-12-23(16-20)37-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H2,31,33,34,38)
InChIKey OCFLUEITGVDIEL-UHFFFAOYSA-N
Mol Weight 527.64 g/mol
Molecular Formula C30H29N3O4S
Exact Mass 527.187878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlREaVIxFa6
Name ethyl 3-{[({[2-(3-isobutoxyphenyl)-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/C30H29N3O4S/c1-4-36-29(35)21-10-7-11-22(15-21)31-30(38)33-28(34)25-17-27(32-26-14-6-5-13-24(25)26)20-9-8-12-23(16-20)37-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H2,31,33,34,38)
InChIKey OCFLUEITGVDIEL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10821
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: 1003379; UBI_ID: UBI-010824
Temperature 308 °C