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methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID LSVZVZaNJ3P
InChI InChI=1S/C30H30N2O4S/c1-18(2)36-20-15-13-19(14-16-20)25-17-23(21-9-7-8-11-24(21)31-25)28(33)32-29-27(30(34)35-3)22-10-5-4-6-12-26(22)37-29/h7-9,11,13-18H,4-6,10,12H2,1-3H3,(H,32,33)
InChIKey TXRVIHWJZCCFCA-UHFFFAOYSA-N
Mol Weight 514.64 g/mol
Molecular Formula C30H30N2O4S
Exact Mass 514.192629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jo3VXA8j9EW
Name methyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}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/C30H30N2O4S/c1-18(2)36-20-15-13-19(14-16-20)25-17-23(21-9-7-8-11-24(21)31-25)28(33)32-29-27(30(34)35-3)22-10-5-4-6-12-26(22)37-29/h7-9,11,13-18H,4-6,10,12H2,1-3H3,(H,32,33)
InChIKey TXRVIHWJZCCFCA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1864
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/9526772; Labnumber: AM-AC/0039183; UZI_ID: UZI-001866
Temperature 318 °C