(5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(dimethylamino)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	3epjfSFTmPC
InChI	InChI=1S/C29H31N3O3/c1-31(2)23-7-3-18(4-8-23)14-25-26(33)30-28(35)32(27(25)34)24-9-5-22(6-10-24)29-15-19-11-20(16-29)13-21(12-19)17-29/h3-10,14,19-21H,11-13,15-17H2,1-2H3,(H,30,33,35)/b25-14-/t19-,20+,21-,29-
InChIKey	XJLYXWQPHXKRIW-MWTPKYGPSA-N Google Search
Mol Weight	469.59 g/mol
Molecular Formula	C29H31N3O3
Exact Mass	469.236542 g/mol

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SpectraBase Spectrum ID	66dTCuyCJLG
Name	(5Z)-1-[4-(1-adamantyl)phenyl]-5-[4-(dimethylamino)benzylidene]-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/C29H31N3O3/c1-31(2)23-7-3-18(4-8-23)14-25-26(33)30-28(35)32(27(25)34)24-9-5-22(6-10-24)29-15-19-11-20(16-29)13-21(12-19)17-29/h3-10,14,19-21H,11-13,15-17H2,1-2H3,(H,30,33,35)/b25-14-/t19-,20+,21-,29-
InChIKey	XJLYXWQPHXKRIW-MWTPKYGPSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16784
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/8181265; UBI_ID: UBI-016787
Synonyms	1-[4-(1-adamantyl)phenyl]-5-[4-(dimethylamino)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C