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4-[N-(.beta.-acetoxyethyl-)-N-(.beta.-cyanoethyl)amino]-4'-nitro-2',6'-dichloroazobenzene
SpectraBase Compound ID 3O013rvGKAa
InChI InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3/b24-23+
InChIKey ROPYWXVRNREIQD-WCWDXBQESA-N
Mol Weight 450.28 g/mol
Molecular Formula C19H17Cl2N5O4
Exact Mass 449.065759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nrfSwYBIRV
Name 4-[N-(.beta.-acetoxyethyl-)-N-(.beta.-cyanoethyl)amino]-4'-nitro-2',6'-dichloroazobenzene
Alternate Name(s) 2-{(2-cyanoethyl)-4-[(E)-(2,6-dichloro-4-nitrophenyl)diazenyl]anilino}ethyl acetate Disperse orange 30
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Formula C19H17Cl2N5O4
InChI InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3/b24-23+
InChIKey ROPYWXVRNREIQD-WCWDXBQESA-N
Molecular Weight 450.282 g/mol
SMILES c1(N(=O)=O)cc(Cl)c(c(c1)Cl)\N=N\c1ccc(cc1)N(CCC#N)CCOC(=O)C
SPLASH splash10-0a4l-4900000000-d07db848d3993f6768c6
Source of Spectrum JC-627-178-9
Wiley ID 1387391