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methyl 2-({[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GOtcgU7s8tr
InChI InChI=1S/C27H23ClN2O3S/c1-15-22(18-10-3-5-12-20(18)29-24(15)16-8-7-9-17(28)14-16)25(31)30-26-23(27(32)33-2)19-11-4-6-13-21(19)34-26/h3,5,7-10,12,14H,4,6,11,13H2,1-2H3,(H,30,31)
InChIKey XDJQHUUTSGXUDK-UHFFFAOYSA-N
Mol Weight 491.01 g/mol
Molecular Formula C27H23ClN2O3S
Exact Mass 490.111791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6SdEbadzR4P
Name methyl 2-({[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]carbonyl}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/C27H23ClN2O3S/c1-15-22(18-10-3-5-12-20(18)29-24(15)16-8-7-9-17(28)14-16)25(31)30-26-23(27(32)33-2)19-11-4-6-13-21(19)34-26/h3,5,7-10,12,14H,4,6,11,13H2,1-2H3,(H,30,31)
InChIKey XDJQHUUTSGXUDK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15173
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: UZI/9311864; Labnumber: NSB-0096607; UZI_ID: UZI-015177
Temperature 318 °C