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(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
Mol Weight 413.32 g/mol
Molecular Formula C19H12FN3O7
Exact Mass 413.065928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXIzng5HIHL
Name (5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12FN3O7
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
Molecular Weight 413.317 g/mol
SMILES N1C(\C(C(N(C1=O)Cc1ccc(cc1)F)=O)=C\c1c(N(=O)=O)cc2c(c1)OCO2)=O
SPLASH splash10-0a4i-5900000000-4576d313e2f633a5bd1e
Synonyms (5E)-1-[(4-fluorophenyl)methyl]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-[(4-fluorophenyl)methyl]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 1452840