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3-(1,1,2,2,2-pentafluoroethyl)-6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine

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3-(1,1,2,2,2-pentafluoroethyl)-6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID JqklOS2IlCz
InChI InChI=1S/C21H17F5N6/c22-20(23,21(24,25)26)19-28-27-17-15-8-4-5-9-16(15)18(29-32(17)19)31-12-10-30(11-13-31)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey NLSSKIHNGLCJGV-UHFFFAOYSA-N
Mol Weight 448.4 g/mol
Molecular Formula C21H17F5N6
Exact Mass 448.143485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEYwnT3NbZy
Name 3-(1,1,2,2,2-pentafluoroethyl)-6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17F5N6
InChI InChI=1S/C21H17F5N6/c22-20(23,21(24,25)26)19-28-27-17-15-8-4-5-9-16(15)18(29-32(17)19)31-12-10-30(11-13-31)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey NLSSKIHNGLCJGV-UHFFFAOYSA-N
Molecular Weight 448.401 g/mol
SMILES c1ccc(N2CCN(C3=N[n]4c(C(C(F)(F)F)(F)F)nnc4-c4ccccc34)CC2)cc1
SPLASH splash10-001i-1900000000-ed71c3f78ead3806ad0b
Source of Spectrum AD-0-2532-0
Synonyms 3-(1,1,2,2,2-pentafluoroethyl)-6-(4-phenylpiperazino)-[1,2,4]triazolo[3,4-a]phthalazine 3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
Wiley ID 1436262