{4-[(Z)-(1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile

SpectraBase Compound ID	I25Sm7DFp2H
InChI	InChI=1S/C31H30BrN3O5/c1-2-39-26-14-18(13-25(32)27(26)40-8-7-33)12-24-28(36)34-30(38)35(29(24)37)23-5-3-22(4-6-23)31-15-19-9-20(16-31)11-21(10-19)17-31/h3-6,12-14,19-21H,2,8-11,15-17H2,1H3,(H,34,36,38)/b24-12-/t19-,20+,21-,31-
InChIKey	VHJHWUQVPWFFDC-DXRIWLDTSA-N Google Search
Mol Weight	604.5 g/mol
Molecular Formula	C31H30BrN3O5
Exact Mass	603.136884 g/mol

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SpectraBase Spectrum ID	9u6Wlh7p1cA
Name	{4-[(Z)-(1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
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/C31H30BrN3O5/c1-2-39-26-14-18(13-25(32)27(26)40-8-7-33)12-24-28(36)34-30(38)35(29(24)37)23-5-3-22(4-6-23)31-15-19-9-20(16-31)11-21(10-19)17-31/h3-6,12-14,19-21H,2,8-11,15-17H2,1H3,(H,34,36,38)/b24-12-/t19-,20+,21-,31-
InChIKey	VHJHWUQVPWFFDC-DXRIWLDTSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16775
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/8180480; UBI_ID: UBI-016778
Synonyms	{4-[(1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
Temperature	308 °C