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methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID H68ggPn04X6
InChI InChI=1S/C29H28N2O4S/c1-17(2)35-19-14-12-18(13-15-19)24-16-22(20-8-4-6-10-23(20)30-24)27(32)31-28-26(29(33)34-3)21-9-5-7-11-25(21)36-28/h4,6,8,10,12-17H,5,7,9,11H2,1-3H3,(H,31,32)
InChIKey XUMSIXVHZNSUIY-UHFFFAOYSA-N
Mol Weight 500.61 g/mol
Molecular Formula C29H28N2O4S
Exact Mass 500.176979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ATgZrkCfEjN
Name methyl 2-({[2-(4-isopropoxyphenyl)-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/C29H28N2O4S/c1-17(2)35-19-14-12-18(13-15-19)24-16-22(20-8-4-6-10-23(20)30-24)27(32)31-28-26(29(33)34-3)21-9-5-7-11-25(21)36-28/h4,6,8,10,12-17H,5,7,9,11H2,1-3H3,(H,31,32)
InChIKey XUMSIXVHZNSUIY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1848
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/9526750; Labnumber: AM-AC/0034969; UZI_ID: UZI-001850
Temperature 318 °C