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N-(1,3-Dimethyl-3-hydroxybutyl)-2-methoxy-4-(2,4-dinitro-6-chlorophenylazo)-aniline-5-acetamide
SpectraBase Compound ID 4CN40ZiOvUp
InChI InChI=1S/C21H25ClN6O7/c1-11(10-21(2,3)30)24-19(29)6-12-5-15(23)18(35-4)9-16(12)25-26-20-14(22)7-13(27(31)32)8-17(20)28(33)34/h5,7-9,11,30H,6,10,23H2,1-4H3,(H,24,29)/b26-25+
InChIKey YFSDMXPBZUVJDE-OCEACIFDSA-N
Mol Weight 508.92 g/mol
Molecular Formula C21H25ClN6O7
Exact Mass 508.147325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5WLHvUW1uz
Name N-(1,3-Dimethyl-3-hydroxybutyl)-2-methoxy-4-(2,4-dinitro-6-chlorophenylazo)-aniline-5-acetamide
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Formula C21H25ClN6O7
InChI InChI=1S/C21H25ClN6O7/c1-11(10-21(2,3)30)24-19(29)6-12-5-15(23)18(35-4)9-16(12)25-26-20-14(22)7-13(27(31)32)8-17(20)28(33)34/h5,7-9,11,30H,6,10,23H2,1-4H3,(H,24,29)/b26-25+
InChIKey YFSDMXPBZUVJDE-OCEACIFDSA-N
Molecular Weight 508.919 g/mol
SMILES Nc1c(cc(c(CC(NC(CC(O)(C)C)C)=O)c1)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1Cl)OC
SPLASH splash10-0a4l-9110360000-d80d4b8a774499c589dd
Source of Spectrum IC-1237-0-0
Synonyms 2-{5-amino-2-[(E)-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}-N-(3-hydroxy-1,3-dimethylbutyl)acetamide
Wiley ID 1400097