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7-Nitro-5-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-8-quinolinolate
SpectraBase Compound ID GNulzVK14Yi
InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-4-16(12-15)27-9-7-26(8-10-27)13-14-11-18(28(30)31)20(29)19-17(14)5-2-6-25-19/h1-6,11-12,29H,7-10,13H2
InChIKey ATLPVCYZQPPHOH-UHFFFAOYSA-N
Mol Weight 432.4 g/mol
Molecular Formula C21H19F3N4O3
Exact Mass 432.140925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5twUZaZ5eAk
Name 7-Nitro-5-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-8-quinolinolate
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Formula C21H19F3N4O3
InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-4-16(12-15)27-9-7-26(8-10-27)13-14-11-18(28(30)31)20(29)19-17(14)5-2-6-25-19/h1-6,11-12,29H,7-10,13H2
InChIKey ATLPVCYZQPPHOH-UHFFFAOYSA-N
Molecular Weight 432.403 g/mol
SMILES Oc1c(N(=O)=O)cc(c2cccnc12)CN1CCN(CC1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-059j-8920000000-6f4394bf0ec19a549896
Synonyms 7-Nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate 7-Nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol 7-Nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]quinolin-8-ol
Wiley ID 1443911