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2-(4-bromophenyl)-N-(4-{[4-({[2-(4-bromophenyl)-4-quinolinyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide
SpectraBase Compound ID AoZvElgQjYY
InChI InChI=1S/C45H42Br2N4O2/c46-32-17-13-30(14-18-32)42-26-38(36-5-1-3-7-40(36)50-42)44(52)48-34-21-9-28(10-22-34)25-29-11-23-35(24-12-29)49-45(53)39-27-43(31-15-19-33(47)20-16-31)51-41-8-4-2-6-37(39)41/h1-8,13-20,26-29,34-35H,9-12,21-25H2,(H,48,52)(H,49,53)
InChIKey FXBHFNBFPAGHBL-UHFFFAOYSA-N
Mol Weight 830.7 g/mol
Molecular Formula C45H42Br2N4O2
Exact Mass 828.167453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7aGuIoMrwNe
Name 2-(4-bromophenyl)-N-(4-{[4-({[2-(4-bromophenyl)-4-quinolinyl]carbonyl}amino)cyclohexyl]methyl}cyclohexyl)-4-quinolinecarboxamide
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/C45H42Br2N4O2/c46-32-17-13-30(14-18-32)42-26-38(36-5-1-3-7-40(36)50-42)44(52)48-34-21-9-28(10-22-34)25-29-11-23-35(24-12-29)49-45(53)39-27-43(31-15-19-33(47)20-16-31)51-41-8-4-2-6-37(39)41/h1-8,13-20,26-29,34-35H,9-12,21-25H2,(H,48,52)(H,49,53)
InChIKey FXBHFNBFPAGHBL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16736
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/8175908; UBI_ID: UBI-016739
Temperature 308 °C