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N-Benzyl-N'-[7-(trifluoromethyl)quinol-4-ylcarbonyl]piperazine
SpectraBase Compound ID KLuQW3E6qI2
InChI InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-7-18-19(8-9-26-20(18)14-17)21(29)28-12-10-27(11-13-28)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKey BXJRRMYKRHMPCR-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C22H20F3N3O
Exact Mass 399.155847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UejMy4uaNk
Name N-Benzyl-N'-[7-(trifluoromethyl)quinol-4-ylcarbonyl]piperazine
Alternate Name(s) 4-[(4-benzyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)quinoline
Comments Less than 3 mono-isotopic peaks
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Formula C22H20F3N3O
InChI InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-7-18-19(8-9-26-20(18)14-17)21(29)28-12-10-27(11-13-28)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKey BXJRRMYKRHMPCR-UHFFFAOYSA-N
Molecular Weight 399.417 g/mol
SMILES C(c1c2c(cc(C(F)(F)F)cc2)ncc1)(N1CCN(CC1)Cc1ccccc1)=O
SPLASH splash10-0fk9-0009600000-a1d274e6cbb00ae8f436
Source of Spectrum QF-10-754-10
Wiley ID 1559202