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3-{4'-[4''-(N-Heptafluorobutyrylamino)benzyl]phenyl}-5-isopropyl-1,3-imidazoline-2,4-dione
SpectraBase Compound ID 8Wv0F0PvvPZ
InChI InChI=1S/C23H20F7N3O3/c1-12(2)17-18(34)33(20(36)32-17)16-9-5-14(6-10-16)11-13-3-7-15(8-4-13)31-19(35)21(24,25)22(26,27)23(28,29)30/h3-10,12,17H,11H2,1-2H3,(H,31,35)(H,32,36)
InChIKey LHVJDLBTTRSNIO-UHFFFAOYSA-N
Mol Weight 519.42 g/mol
Molecular Formula C23H20F7N3O3
Exact Mass 519.139289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FENa8KGaqRU
Name 3-{4'-[4''-(N-Heptafluorobutyrylamino)benzyl]phenyl}-5-isopropyl-1,3-imidazoline-2,4-dione
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Formula C23H20F7N3O3
InChI InChI=1S/C23H20F7N3O3/c1-12(2)17-18(34)33(20(36)32-17)16-9-5-14(6-10-16)11-13-3-7-15(8-4-13)31-19(35)21(24,25)22(26,27)23(28,29)30/h3-10,12,17H,11H2,1-2H3,(H,31,35)(H,32,36)
InChIKey LHVJDLBTTRSNIO-UHFFFAOYSA-N
Molecular Weight 519.420 g/mol
SMILES N1C(C(N(c2ccc(Cc3ccc(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc3)cc2)C1=O)=O)C(C)C
SPLASH splash10-001i-0902010000-84c867d4dd39bb4a5439
Source of Spectrum CRT-13-85-A
Synonyms MDA-Val-Hyd HFBA Derivative
Wiley ID 1709875