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6-(4-Benzyl-1-piperazinyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID I9POBHiJAD3
InChI InChI=1S/C22H19F5N6/c23-21(24,22(25,26)27)20-29-28-18-16-8-4-5-9-17(16)19(30-33(18)20)32-12-10-31(11-13-32)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey VNZIHGKZJVTGQT-UHFFFAOYSA-N
Mol Weight 462.43 g/mol
Molecular Formula C22H19F5N6
Exact Mass 462.159135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fozE1xASXD
Name 6-(4-Benzyl-1-piperazinyl)-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine
Alternate Name(s) 6-(4-Benzyl-piperazin-1-yl)-3-pentafluoroethyl-[1,2,4]triazolo[3,4-a]phthalazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F5N6
InChI InChI=1S/C22H19F5N6/c23-21(24,22(25,26)27)20-29-28-18-16-8-4-5-9-17(16)19(30-33(18)20)32-12-10-31(11-13-32)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey VNZIHGKZJVTGQT-UHFFFAOYSA-N
Molecular Weight 462.428 g/mol
SMILES c1ccc(CN2CCN(C3=N[n]4c(C(C(F)(F)F)(F)F)nnc4-c4ccccc34)CC2)cc1
SPLASH splash10-006y-7900000000-f22bbbb96adddbbafffd
Source of Spectrum AD-0-2532-0
Wiley ID 1436287