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4,6-Dinitro-n,2-bis[3-(trifluoromethyl)phenyl]-2H-indazol-3-amine 1-oxide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,6-Dinitro-n,2-bis[3-(trifluoromethyl)phenyl]-2H-indazol-3-amine 1-oxide
SpectraBase Compound ID HV10Pn23zTU
InChI InChI=1S/C21H11F6N5O5/c22-20(23,24)11-3-1-5-13(7-11)28-19-18-16(9-15(31(34)35)10-17(18)32(36)37)30(33)29(19)14-6-2-4-12(8-14)21(25,26)27/h1-10,28H
InChIKey LAPGUXQEZMSDHR-UHFFFAOYSA-N
Mol Weight 527.34 g/mol
Molecular Formula C21H11F6N5O5
Exact Mass 527.066437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiCTjCRExlH
Name 4,6-Dinitro-n,2-bis[3-(trifluoromethyl)phenyl]-2H-indazol-3-amine 1-oxide
Alternate Name(s) N-{4,6-dinitro-1-oxido-2-[3-(trifluoromethyl)phenyl]-2H-indazol-3-yl}-N-[3-(trifluoromethyl)phenyl]amine [4,6-dinitro-1-oxy-2-(3-trifluoromethyl-phenyl)-2H-indazol-3-yl]-(3-trifluoromethyl-phenyl)-amine
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Formula C21H11F6N5O5
InChI InChI=1S/C21H11F6N5O5/c22-20(23,24)11-3-1-5-13(7-11)28-19-18-16(9-15(31(34)35)10-17(18)32(36)37)30(33)29(19)14-6-2-4-12(8-14)21(25,26)27/h1-10,28H
InChIKey LAPGUXQEZMSDHR-UHFFFAOYSA-N
Molecular Weight 527.339 g/mol
SMILES N(c1[n]([n+](c2c1c(N(=O)=O)cc(c2)N(=O)=O)[O-])-c1cc(C(F)(F)F)ccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-00kb-0915000000-40cc7b98cc1713ac2ac2
Wiley ID 1454606