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methyl 2-{[(3-methyl-2-phenyl-4-quinolinyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 1XUUeSSRvdD
InChI InChI=1S/C28H26N2O3S/c1-17-23(19-13-9-10-15-21(19)29-25(17)18-11-5-3-6-12-18)26(31)30-27-24(28(32)33-2)20-14-7-4-8-16-22(20)34-27/h3,5-6,9-13,15H,4,7-8,14,16H2,1-2H3,(H,30,31)
InChIKey VUSZSLZAMFFHLC-UHFFFAOYSA-N
Mol Weight 470.59 g/mol
Molecular Formula C28H26N2O3S
Exact Mass 470.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID h84tqivElc
Name methyl 2-{[(3-methyl-2-phenyl-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/C28H26N2O3S/c1-17-23(19-13-9-10-15-21(19)29-25(17)18-11-5-3-6-12-18)26(31)30-27-24(28(32)33-2)20-14-7-4-8-16-22(20)34-27/h3,5-6,9-13,15H,4,7-8,14,16H2,1-2H3,(H,30,31)
InChIKey VUSZSLZAMFFHLC-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6412
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/8183669; UBI_ID: UBI-006414
Temperature 318 °C