(5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	8ZylXS2zCgo
InChI	InChI=1S/C19H12FN3O7/c20-12-3-1-10(2-4-12)8-22-18(25)13(17(24)21-19(22)26)5-11-6-15-16(30-9-29-15)7-14(11)23(27)28/h1-7H,8-9H2,(H,21,24,26)/b13-5+
InChIKey	OXQVHAFMICJWQS-WLRTZDKTSA-N Google Search
Mol Weight	413.32 g/mol
Molecular Formula	C19H12FN3O7
Exact Mass	413.065928 g/mol

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SpectraBase Spectrum ID	H1qUJ3fcyPO
Name	(5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-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/C19H12FN3O7/c20-12-3-1-10(2-4-12)8-22-18(25)13(17(24)21-19(22)26)5-11-6-15-16(30-9-29-15)7-14(11)23(27)28/h1-7H,8-9H2,(H,21,24,26)/b13-5+
InChIKey	OXQVHAFMICJWQS-WLRTZDKTSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5328
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/10321751; Labnumber: LP-1708294; IOH_ID: IOH-005329
Synonyms	1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione