(5E)-1-[4-(1-adamantyl)phenyl]-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	B2xthrHAtBy
InChI	InChI=1S/C29H31N3O5/c33-26-24(14-23-5-6-25(37-23)31-7-9-36-10-8-31)27(34)32(28(35)30-26)22-3-1-21(2-4-22)29-15-18-11-19(16-29)13-20(12-18)17-29/h1-6,14,18-20H,7-13,15-17H2,(H,30,33,35)/b24-14+/t18-,19+,20-,29-
InChIKey	YXJWOBSKUYZHLV-UDLBBOEDSA-N Google Search
Mol Weight	501.58 g/mol
Molecular Formula	C29H31N3O5
Exact Mass	501.226371 g/mol

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SpectraBase Spectrum ID	DKnAWepWmA0
Name	(5E)-1-[4-(1-adamantyl)phenyl]-5-{[5-(4-morpholinyl)-2-furyl]methylene}-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/C29H31N3O5/c33-26-24(14-23-5-6-25(37-23)31-7-9-36-10-8-31)27(34)32(28(35)30-26)22-3-1-21(2-4-22)29-15-18-11-19(16-29)13-20(12-18)17-29/h1-6,14,18-20H,7-13,15-17H2,(H,30,33,35)/b24-14+/t18-,19+,20-,29-
InChIKey	YXJWOBSKUYZHLV-UDLBBOEDSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3589
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: 113230; Labnumber: PAVL-28385; VK_ID: VK-003590
Synonyms	1-[4-(1-adamantyl)phenyl]-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	313 °C