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ethyl 6-ethyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Fa4cAq79uwl
InChI InChI=1S/C30H29N3O3S2/c1-3-18-14-15-21-25(16-18)38-28(26(21)29(35)36-4-2)33-30(37)32-27(34)22-17-24(19-10-6-5-7-11-19)31-23-13-9-8-12-20(22)23/h5-13,17-18H,3-4,14-16H2,1-2H3,(H2,32,33,34,37)
InChIKey KSVAHUGAMPLLNE-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H29N3O3S2
Exact Mass 543.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7cvUI2JlTUT
Name ethyl 6-ethyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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/C30H29N3O3S2/c1-3-18-14-15-21-25(16-18)38-28(26(21)29(35)36-4-2)33-30(37)32-27(34)22-17-24(19-10-6-5-7-11-19)31-23-13-9-8-12-20(22)23/h5-13,17-18H,3-4,14-16H2,1-2H3,(H2,32,33,34,37)
InChIKey KSVAHUGAMPLLNE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9006
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: 1001126; UBI_ID: UBI-009009
Temperature 313 °C