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3,5-Dinitro-4-(4-phenyl-1-piperazinyl)benzoic acid
SpectraBase Compound ID DVhJxwLzDrR
InChI InChI=1S/C17H16N4O6/c22-17(23)12-10-14(20(24)25)16(15(11-12)21(26)27)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,22,23)
InChIKey ZXMVOBOZQBCOMR-UHFFFAOYSA-N
Mol Weight 372.34 g/mol
Molecular Formula C17H16N4O6
Exact Mass 372.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sHLsBz4RnD
Name 3,5-Dinitro-4-(4-phenyl-1-piperazinyl)benzoic acid
Alternate Name(s) 3,5-Dinitro-4-(4-phenylpiperazin-1-yl)benzoic acid 3,5-Dinitro-4-(4-phenylpiperazino)benzoic acid
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Formula C17H16N4O6
InChI InChI=1S/C17H16N4O6/c22-17(23)12-10-14(20(24)25)16(15(11-12)21(26)27)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,22,23)
InChIKey ZXMVOBOZQBCOMR-UHFFFAOYSA-N
Molecular Weight 372.337 g/mol
SMILES OC(c1cc(c(c(N(=O)=O)c1)N1CCN(CC1)c1ccccc1)N(=O)=O)=O
SPLASH splash10-052r-9820000000-b015a8784f05f61e8dad
Wiley ID 1450717