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4-[N-(.beta.-hydroxyethyl-)-N-(.beta.-cyanoethyl)amino]-4'-nitro-2',6'-dichloroazobenzene
SpectraBase Compound ID LcdojncqFYW
InChI InChI=1S/C17H15Cl2N5O3/c18-15-10-14(24(26)27)11-16(19)17(15)22-21-12-2-4-13(5-3-12)23(8-9-25)7-1-6-20/h2-5,10-11,25H,1,7-9H2/b22-21+
InChIKey PAEXBWVMHCSRCV-QURGRASLSA-N
Mol Weight 408.25 g/mol
Molecular Formula C17H15Cl2N5O3
Exact Mass 407.055195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4thMAb6OWp7
Name 4-[N-(.beta.-hydroxyethyl-)-N-(.beta.-cyanoethyl)amino]-4'-nitro-2',6'-dichloroazobenzene
Alternate Name(s) 3-[4-[(E)-(2,6-dichloro-4-nitrophenyl)diazenyl](2-hydroxyethyl)anilino]propanenitrile Derivative of disperse orange 30
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Formula C17H15Cl2N5O3
InChI InChI=1S/C17H15Cl2N5O3/c18-15-10-14(24(26)27)11-16(19)17(15)22-21-12-2-4-13(5-3-12)23(8-9-25)7-1-6-20/h2-5,10-11,25H,1,7-9H2/b22-21+
InChIKey PAEXBWVMHCSRCV-QURGRASLSA-N
Molecular Weight 408.245 g/mol
SMILES OCCN(c1ccc(\N=N\c2c(cc(N(=O)=O)cc2Cl)Cl)cc1)CCC#N
SPLASH splash10-0a4l-2910000000-1ad26d78c4e1b1f25f44
Source of Spectrum JC-627-178-9
Wiley ID 1372499