2-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfonyl)butanoic acid

SpectraBase Compound ID	AUKyDpKcOFJ
InChI	InChI=1S/C16H16FN3O7S/c1-28(26,27)7-6-12(15(23)24)18-8-11-13(21)19-16(25)20(14(11)22)10-4-2-9(17)3-5-10/h2-5,8,12,18H,6-7H2,1H3,(H,23,24)(H,19,21,25)/b11-8+
InChIKey	ZNRQPEPPEXKKBY-DHZHZOJOSA-N Google Search
Mol Weight	413.38 g/mol
Molecular Formula	C16H16FN3O7S
Exact Mass	413.069299 g/mol

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SpectraBase Spectrum ID	9wUBjMszBqI
Name	2-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfonyl)butanoic 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/C16H16FN3O7S/c1-28(26,27)7-6-12(15(23)24)18-8-11-13(21)19-16(25)20(14(11)22)10-4-2-9(17)3-5-10/h2-5,8,12,18H,6-7H2,1H3,(H,23,24)(H,19,21,25)/b11-8+
InChIKey	ZNRQPEPPEXKKBY-DHZHZOJOSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23432
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: D40398; Labnumber: NC98SP32-1598; SBI_ID: SBI-023436
Synonyms	2-{[(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfonyl)butanoic acid
Temperature	318 °C