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ethyl 2-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID EBegdAMiVe2
InChI InChI=1S/C29H26ClN3O3S2/c1-2-36-28(35)25-20-9-4-3-5-11-24(20)38-27(25)33-29(37)32-26(34)21-16-23(17-12-14-18(30)15-13-17)31-22-10-7-6-8-19(21)22/h6-8,10,12-16H,2-5,9,11H2,1H3,(H2,32,33,34,37)
InChIKey YTZCLNYVSCNHQF-UHFFFAOYSA-N
Mol Weight 564.12 g/mol
Molecular Formula C29H26ClN3O3S2
Exact Mass 563.110412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID An8eGBngGMD
Name ethyl 2-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C29H26ClN3O3S2/c1-2-36-28(35)25-20-9-4-3-5-11-24(20)38-27(25)33-29(37)32-26(34)21-16-23(17-12-14-18(30)15-13-17)31-22-10-7-6-8-19(21)22/h6-8,10,12-16H,2-5,9,11H2,1H3,(H2,32,33,34,37)
InChIKey YTZCLNYVSCNHQF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9009
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: 1002077; UBI_ID: UBI-009012
Temperature 313 °C