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ethyl 2-({[2-(4-methylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9vjXad9ple4
InChI InChI=1S/C30H30N2O3S/c1-3-35-30(34)27-22-11-6-4-5-7-13-26(22)36-29(27)32-28(33)23-18-25(20-16-14-19(2)15-17-20)31-24-12-9-8-10-21(23)24/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33)
InChIKey XSCFEBFMYIQZPV-UHFFFAOYSA-N
Mol Weight 498.64 g/mol
Molecular Formula C30H30N2O3S
Exact Mass 498.197714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KC1UaLIbzGl
Name ethyl 2-({[2-(4-methylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[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/C30H30N2O3S/c1-3-35-30(34)27-22-11-6-4-5-7-13-26(22)36-29(27)32-28(33)23-18-25(20-16-14-19(2)15-17-20)31-24-12-9-8-10-21(23)24/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33)
InChIKey XSCFEBFMYIQZPV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3218
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/8079366; UBI_ID: UBI-003219
Temperature 318 °C