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4-[N,N-bis(.beta.-cyanoethyl)amino]-4'-nitro-3'-chloroazobenzene
SpectraBase Compound ID 3xACE7JmodT
InChI InChI=1S/C18H15ClN6O2/c19-17-13-15(5-8-18(17)25(26)27)23-22-14-3-6-16(7-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2/b23-22+
InChIKey ZINVSNKSRLHUAR-GHVJWSGMSA-N
Mol Weight 382.81 g/mol
Molecular Formula C18H15ClN6O2
Exact Mass 382.094501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 304Nrnynyj9
Name 4-[N,N-bis(.beta.-cyanoethyl)amino]-4'-nitro-3'-chloroazobenzene
Alternate Name(s) 3-[4-[(E)-(3-chloro-4-nitrophenyl)diazenyl](2-cyanoethyl)anilino]propanenitrile Disperse orange 44
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Formula C18H15ClN6O2
InChI InChI=1S/C18H15ClN6O2/c19-17-13-15(5-8-18(17)25(26)27)23-22-14-3-6-16(7-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2/b23-22+
InChIKey ZINVSNKSRLHUAR-GHVJWSGMSA-N
Molecular Weight 382.811 g/mol
SMILES c1(N(=O)=O)c(cc(\N=N\c2ccc(cc2)N(CCC#N)CCC#N)cc1)Cl
SPLASH splash10-052b-2913000000-49cfa4aa00e9b4d1ae43
Source of Spectrum JC-627-178-8
Wiley ID 1360414