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2,2'-(propane-1,3-diyldisulfonyl)bis(4-nitroaniline)
SpectraBase Compound ID 2kx3vKfreFl
InChI InChI=1S/C15H16N4O8S2/c16-12-4-2-10(18(20)21)8-14(12)28(24,25)6-1-7-29(26,27)15-9-11(19(22)23)3-5-13(15)17/h2-5,8-9H,1,6-7,16-17H2
InChIKey BFGXLXBAPAMYJL-UHFFFAOYSA-N
Mol Weight 444.43 g/mol
Molecular Formula C15H16N4O8S2
Exact Mass 444.040956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IB18asSZv2A
Name 2,2'-(propane-1,3-diyldisulfonyl)bis(4-nitroaniline)
Alternate Name(s) 2-[3-(2-amino-5-nitrophenyl)sulfonylpropylsulfonyl]-4-nitroaniline 2-[3-(2-amino-5-nitro-phenyl)sulfonylpropylsulfonyl]-4-nitro-aniline 2-[3-(2-azanyl-5-nitro-phenyl)sulfonylpropylsulfonyl]-4-nitro-aniline
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Formula C15H16N4O8S2
InChI InChI=1S/C15H16N4O8S2/c16-12-4-2-10(18(20)21)8-14(12)28(24,25)6-1-7-29(26,27)15-9-11(19(22)23)3-5-13(15)17/h2-5,8-9H,1,6-7,16-17H2
InChIKey BFGXLXBAPAMYJL-UHFFFAOYSA-N
Molecular Weight 444.433 g/mol
SMILES Nc1c(S(CCCS(c2c(ccc(c2)[N+]([O-])=O)N)(=O)=O)(=O)=O)cc(cc1)[N+]([O-])=O
SPLASH splash10-0006-9610000000-814f56f2dd30d16574a3
Source of Spectrum JX-2015-4-531
Wiley ID 1725963