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methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 7NPWrUpHwnQ
InChI InChI=1S/C32H33BrN2O3S/c1-32(2,3)20-13-11-19(12-14-20)26-18-24(23-17-21(33)15-16-25(23)34-26)29(36)35-30-28(31(37)38-4)22-9-7-5-6-8-10-27(22)39-30/h11-18H,5-10H2,1-4H3,(H,35,36)
InChIKey DXHADNAKGWEUQF-UHFFFAOYSA-N
Mol Weight 605.6 g/mol
Molecular Formula C32H33BrN2O3S
Exact Mass 604.139527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4iPkM97xSbJ
Name methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-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/C32H33BrN2O3S/c1-32(2,3)20-13-11-19(12-14-20)26-18-24(23-17-21(33)15-16-25(23)34-26)29(36)35-30-28(31(37)38-4)22-9-7-5-6-8-10-27(22)39-30/h11-18H,5-10H2,1-4H3,(H,35,36)
InChIKey DXHADNAKGWEUQF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1872
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/9438225; Labnumber: AM-AC/0041000; UZI_ID: UZI-001874
Temperature 308 °C