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1,6-hexanediamine, N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 8xxYwMiwHjA
InChI InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2
InChIKey TWYKOUFMVQUCDY-UHFFFAOYSA-N
Mol Weight 505.84 g/mol
Molecular Formula C19H19ClF3N5O6
Exact Mass 505.097596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsDAZZW7gov
Name 6-(2-Chloro-4-nitro-anilino)hexyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine
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Formula C19H19ClF3N5O6
InChI InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2
InChIKey TWYKOUFMVQUCDY-UHFFFAOYSA-N
Molecular Weight 505.838 g/mol
SMILES N(c1c(N(=O)=O)cc(C(F)(F)F)cc1N(=O)=O)CCCCCCNc1c(cc(N(=O)=O)cc1)Cl
SPLASH splash10-000i-4930000000-465c87a726074c905306
Synonyms N-(2-chloranyl-4-nitro-phenyl)-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine N-(2-chloro-4-nitrophenyl)-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
Wiley ID 1457812