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3,5-Dinitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzoate
SpectraBase Compound ID JGkNlXGAqHt
InChI InChI=1S/C18H15F3N4O6/c19-18(20,21)12-2-1-3-13(10-12)22-4-6-23(7-5-22)16-14(24(28)29)8-11(17(26)27)9-15(16)25(30)31/h1-3,8-10H,4-7H2,(H,26,27)/p-1
InChIKey JQFSFVJAWLRQIF-UHFFFAOYSA-M
Mol Weight 439.33 g/mol
Molecular Formula C18H14F3N4O6
Exact Mass 439.086544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEXD6SNSlnC
Name 3,5-Dinitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3N4O6
InChI InChI=1S/C18H15F3N4O6/c19-18(20,21)12-2-1-3-13(10-12)22-4-6-23(7-5-22)16-14(24(28)29)8-11(17(26)27)9-15(16)25(30)31/h1-3,8-10H,4-7H2,(H,26,27)/p-1
InChIKey JQFSFVJAWLRQIF-UHFFFAOYSA-M
Molecular Weight 439.327 g/mol
SMILES c1(c(c(N(=O)=O)cc(c1)C([O-])=O)N1CCN(CC1)c1cc(C(F)(F)F)ccc1)N(=O)=O
SPLASH splash10-05fr-4920000000-b18a65cd26f049bd480b
Synonyms 3,5-Dinitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoate 3,5-Dinitro-4-[4-[3-(trifluoromethyl)phenyl]piperazino]benzoate
Wiley ID 1457810