1-(4-fluorophenyl)-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

SpectraBase Compound ID	DYnpwDY3CTx
InChI	InChI=1S/C21H13F7N4O2/c1-10-3-2-4-11(9-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-7-5-12(22)6-8-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey	BRBFGWMPLCCHKY-UHFFFAOYSA-N Google Search
Mol Weight	486.35 g/mol
Molecular Formula	C21H13F7N4O2
Exact Mass	486.092673 g/mol

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SpectraBase Spectrum ID	IgTtzqaGARV
Name	1-(4-fluorophenyl)-7-(3-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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/C21H13F7N4O2/c1-10-3-2-4-11(9-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-7-5-12(22)6-8-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey	BRBFGWMPLCCHKY-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25490
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: D49897; Labnumber: SOK-1620; SBI_ID: SBI-025494
Temperature	315 °C