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1,2-Benzenedicarbonitrile, 4-[[4-(cyanomethyl)phenyl]amino]-5-nitro-
SpectraBase Compound ID AQVajMPeeNT
InChI InChI=1S/C16H9N5O2/c17-6-5-11-1-3-14(4-2-11)20-15-7-12(9-18)13(10-19)8-16(15)21(22)23/h1-4,7-8,20H,5H2
InChIKey DDQDFELCKKYCKK-UHFFFAOYSA-N
Mol Weight 303.28 g/mol
Molecular Formula C16H9N5O2
Exact Mass 303.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47NbHfgCC9z
Name 1,2-Benzenedicarbonitrile, 4-[[4-(cyanomethyl)phenyl]amino]-5-nitro-
Alternate Name(s) 4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile 4-[[4-(cyanomethyl)phenyl]amino]-5-nitro-benzene-1,2-dicarbonitrile
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Formula C16H9N5O2
InChI InChI=1S/C16H9N5O2/c17-6-5-11-1-3-14(4-2-11)20-15-7-12(9-18)13(10-19)8-16(15)21(22)23/h1-4,7-8,20H,5H2
InChIKey DDQDFELCKKYCKK-UHFFFAOYSA-N
Molecular Weight 303.281 g/mol
SMILES N(c1cc(c(cc1N(=O)=O)C#N)C#N)c1ccc(cc1)CC#N
SPLASH splash10-0zfr-2294000000-a41e8cc083f687d9ad84
Source of Spectrum IY-1-4450-3
Wiley ID 1652486