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

SpectraBase Compound ID	OCcvGYzhcw
InChI	InChI=1S/C29H29IN2O5/c1-36-24-12-16(11-23(30)25(24)37-2)10-22-26(33)31-28(35)32(27(22)34)21-5-3-20(4-6-21)29-13-17-7-18(14-29)9-19(8-17)15-29/h3-6,10-12,17-19H,7-9,13-15H2,1-2H3,(H,31,33,35)/b22-10-/t17-,18+,19-,29-
InChIKey	QASWHYOBZDVTRP-SSKHGQLYSA-N Google Search
Mol Weight	612.46 g/mol
Molecular Formula	C29H29IN2O5
Exact Mass	612.112117 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	J9JTTW69Bba
Name	(5Z)-1-[4-(1-adamantyl)phenyl]-5-(3-iodo-4,5-dimethoxybenzylidene)-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/C29H29IN2O5/c1-36-24-12-16(11-23(30)25(24)37-2)10-22-26(33)31-28(35)32(27(22)34)21-5-3-20(4-6-21)29-13-17-7-18(14-29)9-19(8-17)15-29/h3-6,10-12,17-19H,7-9,13-15H2,1-2H3,(H,31,33,35)/b22-10-/t17-,18+,19-,29-
InChIKey	QASWHYOBZDVTRP-SSKHGQLYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_19236
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/9138142; UBI_ID: UBI-019239
Synonyms	1-[4-(1-adamantyl)phenyl]-5-(3-iodo-4,5-dimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C