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4-(Butylamino)-3,5-dinitrobenzonitrile
SpectraBase Compound ID AqxuW6q8B3A
InChI InChI=1S/C11H12N4O4/c1-2-3-4-13-11-9(14(16)17)5-8(7-12)6-10(11)15(18)19/h5-6,13H,2-4H2,1H3
InChIKey BKPZQAYMZJUEKW-UHFFFAOYSA-N
Mol Weight 264.24 g/mol
Molecular Formula C11H12N4O4
Exact Mass 264.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAdMdgtVW5y
Name 4-(Butylamino)-3,5-dinitrobenzonitrile
Alternate Name(s) 4-(butylamino)-3,5-dinitro-benzenecarbonitrile
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Formula C11H12N4O4
InChI InChI=1S/C11H12N4O4/c1-2-3-4-13-11-9(14(16)17)5-8(7-12)6-10(11)15(18)19/h5-6,13H,2-4H2,1H3
InChIKey BKPZQAYMZJUEKW-UHFFFAOYSA-N
Molecular Weight 264.241 g/mol
SMILES N(c1c(N(=O)=O)cc(C#N)cc1N(=O)=O)CCCC
SPLASH splash10-006x-9150000000-ec236abbc28b8317c5d4
Source of Spectrum K1-2002-258-11
Wiley ID 1521940