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N-(1,3-Dimethylbut-2-enyl)-2-methoxy-5-acetamido-4-(2,4-dinitro-6-chlorophenylazo)aniline
SpectraBase Compound ID 8zcqVnt55B5
InChI InChI=1S/C21H23ClN6O6/c1-11(2)6-12(3)23-18-9-16(24-13(4)29)17(10-20(18)34-5)25-26-21-15(22)7-14(27(30)31)8-19(21)28(32)33/h6-10,12,23H,1-5H3,(H,24,29)/b26-25+
InChIKey HEGKGZSQFRKFRG-OCEACIFDSA-N
Mol Weight 490.9 g/mol
Molecular Formula C21H23ClN6O6
Exact Mass 490.13676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNvB61vsVKv
Name N-(1,3-Dimethylbut-2-enyl)-2-methoxy-5-acetamido-4-(2,4-dinitro-6-chlorophenylazo)aniline
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Formula C21H23ClN6O6
InChI InChI=1S/C21H23ClN6O6/c1-11(2)6-12(3)23-18-9-16(24-13(4)29)17(10-20(18)34-5)25-26-21-15(22)7-14(27(30)31)8-19(21)28(32)33/h6-10,12,23H,1-5H3,(H,24,29)/b26-25+
InChIKey HEGKGZSQFRKFRG-OCEACIFDSA-N
Molecular Weight 490.904 g/mol
SMILES N(c1c(cc(c(c1)NC(=O)C)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1Cl)OC)C(C=C(C)C)C
SPLASH splash10-055u-3300900000-a84088cfe769c0af4306
Source of Spectrum IC-1224-0-0
Synonyms N-{2-[(E)-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(1,3-dimethyl-2-butenyl)amino]-4-methoxyphenyl}acetamide
Wiley ID 1397173