{2-[(E)-(2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid

SpectraBase Compound ID	5CS3WtFCfDE
InChI	InChI=1S/C20H13F3N2O6/c21-20(22,23)12-5-3-6-13(9-12)25-18(29)14(17(28)24-19(25)30)8-11-4-1-2-7-15(11)31-10-16(26)27/h1-9H,10H2,(H,26,27)(H,24,28,30)/b14-8+
InChIKey	PCJZHNIDXRTZDC-RIYZIHGNSA-N Google Search
Mol Weight	434.33 g/mol
Molecular Formula	C20H13F3N2O6
Exact Mass	434.072571 g/mol

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SpectraBase Spectrum ID	6z6hQ5BTjgN
Name	{2-[(E)-(2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
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/C20H13F3N2O6/c21-20(22,23)12-5-3-6-13(9-12)25-18(29)14(17(28)24-19(25)30)8-11-4-1-2-7-15(11)31-10-16(26)27/h1-9H,10H2,(H,26,27)(H,24,28,30)/b14-8+
InChIKey	PCJZHNIDXRTZDC-RIYZIHGNSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5299
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: NMR/10321716; Labnumber: LP-1708222; IOH_ID: IOH-005300
Synonyms	{2-[(2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid