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methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 6sDvYk1K5iZ
InChI InChI=1S/C27H23N3O3S2/c1-33-26(32)23-18-12-6-8-14-22(18)35-25(23)30-27(34)29-24(31)19-15-21(16-9-3-2-4-10-16)28-20-13-7-5-11-17(19)20/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3,(H2,29,30,31,34)
InChIKey MQNOMVUAJCFAAI-UHFFFAOYSA-N
Mol Weight 501.62 g/mol
Molecular Formula C27H23N3O3S2
Exact Mass 501.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6c1hKZz8eTu
Name methyl 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/C27H23N3O3S2/c1-33-26(32)23-18-12-6-8-14-22(18)35-25(23)30-27(34)29-24(31)19-15-21(16-9-3-2-4-10-16)28-20-13-7-5-11-17(19)20/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3,(H2,29,30,31,34)
InChIKey MQNOMVUAJCFAAI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7239
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: 9686680; UBI_ID: UBI-007242
Temperature 308 °C