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4-[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID IG93VjSEh1s
InChI InChI=1S/C18H17F5N6O2/c1-2-31-16(30)28-9-7-27(8-10-28)14-12-6-4-3-5-11(12)13-24-25-15(29(13)26-14)17(19,20)18(21,22)23/h3-6H,2,7-10H2,1H3
InChIKey BJCJHAUWSKBCTH-UHFFFAOYSA-N
Mol Weight 444.37 g/mol
Molecular Formula C18H17F5N6O2
Exact Mass 444.133315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HszJWHaGSNA
Name 4-[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-piperazinecarboxylic acid ethyl ester
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Formula C18H17F5N6O2
InChI InChI=1S/C18H17F5N6O2/c1-2-31-16(30)28-9-7-27(8-10-28)14-12-6-4-3-5-11(12)13-24-25-15(29(13)26-14)17(19,20)18(21,22)23/h3-6H,2,7-10H2,1H3
InChIKey BJCJHAUWSKBCTH-UHFFFAOYSA-N
Molecular Weight 444.366 g/mol
SMILES CCOC(N1CCN(C2=N[n]3c(C(C(F)(F)F)(F)F)nnc3-c3ccccc23)CC1)=O
SPLASH splash10-0a6u-9712000000-f3a74faca872c61e6232
Source of Spectrum AD-0-2532-0
Synonyms 4-[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]piperazine-1-carboxylic acid ethyl ester Ethyl 4-[3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]piperazine-1-carboxylate Ethyl 4-[3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]piperazine-1-carboxylate
Wiley ID 1436286