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(5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KVnKms1QYIB
InChI InChI=1S/C35H33BrN2O5/c1-42-30-16-22(15-29(36)31(30)43-20-21-5-3-2-4-6-21)14-28-32(39)37-34(41)38(33(28)40)27-9-7-26(8-10-27)35-17-23-11-24(18-35)13-25(12-23)19-35/h2-10,14-16,23-25H,11-13,17-20H2,1H3,(H,37,39,41)/b28-14-/t23-,24+,25-,35-
InChIKey WTMZYVCAQXLSMD-CXMXSKDQSA-N
Mol Weight 641.6 g/mol
Molecular Formula C35H33BrN2O5
Exact Mass 640.157285 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6I1zUKwzwy4
Name (5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C35H33BrN2O5/c1-42-30-16-22(15-29(36)31(30)43-20-21-5-3-2-4-6-21)14-28-32(39)37-34(41)38(33(28)40)27-9-7-26(8-10-27)35-17-23-11-24(18-35)13-25(12-23)19-35/h2-10,14-16,23-25H,11-13,17-20H2,1H3,(H,37,39,41)/b28-14-/t23-,24+,25-,35-
InChIKey WTMZYVCAQXLSMD-CXMXSKDQSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16802
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/8183038; UBI_ID: UBI-016805
Synonyms 1-[4-(1-adamantyl)phenyl]-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C