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5-ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid
SpectraBase Compound ID 45B20rLzdgY
InChI InChI=1S/C20H11F4N3O5/c1-2-20(17(30)25-19(32)26(18(20)31)8-6-4-3-5-7-8)27-15(28)9-10(16(27)29)12(22)14(24)13(23)11(9)21/h3-7H,2H2,1H3,(H,25,30,32)
InChIKey VEOGKKIBNYROKA-UHFFFAOYSA-N
Mol Weight 449.32 g/mol
Molecular Formula C20H11F4N3O5
Exact Mass 449.063483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9764nxcr9S4
Name 5-ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11F4N3O5
InChI InChI=1S/C20H11F4N3O5/c1-2-20(17(30)25-19(32)26(18(20)31)8-6-4-3-5-7-8)27-15(28)9-10(16(27)29)12(22)14(24)13(23)11(9)21/h3-7H,2H2,1H3,(H,25,30,32)
InChIKey VEOGKKIBNYROKA-UHFFFAOYSA-N
Instrument Name Varian MAT CH6 or HP-MS Engine 5989A
Ionization Type EI
Molecular Weight 449.318 g/mol
SMILES N1C(C(C(N(C1=O)c1ccccc1)=O)(N1C(c2c(c(c(F)c(c2F)F)F)C1=O)=O)CC)=O
SPLASH splash10-016s-0920400000-45b433ccf478bb5017ee
Source of Spectrum US8716315B2
Wiley ID 1849944