(5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	2LuHvy8AQ5a
InChI	InChI=1S/C31H31BrN2O5/c1-3-8-39-27-14-25(32)21(13-26(27)38-2)12-24-28(35)33-30(37)34(29(24)36)23-6-4-22(5-7-23)31-15-18-9-19(16-31)11-20(10-18)17-31/h3-7,12-14,18-20H,1,8-11,15-17H2,2H3,(H,33,35,37)/b24-12-/t18-,19+,20-,31-
InChIKey	DLKKEVWATQDAJY-YPRWDVMXSA-N Google Search
Mol Weight	591.5 g/mol
Molecular Formula	C31H31BrN2O5
Exact Mass	590.141635 g/mol

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SpectraBase Spectrum ID	I30VvxGlOhK
Name	(5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(allyloxy)-2-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/C31H31BrN2O5/c1-3-8-39-27-14-25(32)21(13-26(27)38-2)12-24-28(35)33-30(37)34(29(24)36)23-6-4-22(5-7-23)31-15-18-9-19(16-31)11-20(10-18)17-31/h3-7,12-14,18-20H,1,8-11,15-17H2,2H3,(H,33,35,37)/b24-12-/t18-,19+,20-,31-
InChIKey	DLKKEVWATQDAJY-YPRWDVMXSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16864
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/8188519; UBI_ID: UBI-016867
Synonyms	1-[4-(1-adamantyl)phenyl]-5-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C