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N(1),N(4),N(4)-tris(pentafluorobenzyl)cytosine
SpectraBase Compound ID 3x6dQFpz3nj
InChI InChI=1S/C25H8F15N3O/c26-10-6(11(27)17(33)22(38)16(10)32)3-42-2-1-9(41-25(42)44)43(4-7-12(28)18(34)23(39)19(35)13(7)29)5-8-14(30)20(36)24(40)21(37)15(8)31/h1-2H,3-5H2
InChIKey KKHHNANYQKXFJZ-UHFFFAOYSA-N
Mol Weight 651.34 g/mol
Molecular Formula C25H8F15N3O
Exact Mass 651.042784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxiDjSuDeSN
Name N(1),N(4),N(4)-tris(pentafluorobenzyl)cytosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H8F15N3O
InChI InChI=1S/C25H8F15N3O/c26-10-6(11(27)17(33)22(38)16(10)32)3-42-2-1-9(41-25(42)44)43(4-7-12(28)18(34)23(39)19(35)13(7)29)5-8-14(30)20(36)24(40)21(37)15(8)31/h1-2H,3-5H2
InChIKey KKHHNANYQKXFJZ-UHFFFAOYSA-N
Molecular Weight 651.335 g/mol
SMILES C1(N=C(C=CN1Cc1c(c(F)c(c(c1F)F)F)F)N(Cc1c(c(c(F)c(c1F)F)F)F)Cc1c(c(c(F)c(c1F)F)F)F)=O
SPLASH splash10-00e9-0400900000-2ed88e41a92da844f663
Source of Spectrum KO-18-965-4
Synonyms 1,4,4-tris(N-pentafluorobenzyl)-2(1H)-pyrimidinone
Wiley ID 1413157