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N-(2-Acetoxycyclohexyl)-2-methoxy-5-acetamido-4-(2,4-dinitro-]D6-bromophenylazo)aniline
SpectraBase Compound ID 4Ot3R7wTJqg
InChI InChI=1S/C23H25BrN6O8/c1-12(31)38-20-6-4-3-5-16(20)26-18-7-13(8-22(25)32)17(11-21(18)37-2)27-28-23-15(24)9-14(29(33)34)10-19(23)30(35)36/h7,9-11,16,20,26H,3-6,8H2,1-2H3,(H2,25,32)/b28-27+
InChIKey ITZJRPSIMFMPTM-BYYHNAKLSA-N
Mol Weight 593.39 g/mol
Molecular Formula C23H25BrN6O8
Exact Mass 592.091725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iWYv2niGNn
Name N-(2-Acetoxycyclohexyl)-2-methoxy-5-acetamido-4-(2,4-dinitro-]D6-bromophenylazo)aniline
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Formula C23H25BrN6O8
InChI InChI=1S/C23H25BrN6O8/c1-12(31)38-20-6-4-3-5-16(20)26-18-7-13(8-22(25)32)17(11-21(18)37-2)27-28-23-15(24)9-14(29(33)34)10-19(23)30(35)36/h7,9-11,16,20,26H,3-6,8H2,1-2H3,(H2,25,32)/b28-27+
InChIKey ITZJRPSIMFMPTM-BYYHNAKLSA-N
Molecular Weight 593.391 g/mol
SMILES N(c1c(cc(c(CC(=O)N)c1)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1Br)OC)C1C(OC(=O)C)CCCC1
SPLASH splash10-0006-9030070000-cddc8a39e9dcb4157b89
Source of Spectrum IC-1280-0-0
Synonyms 2-{5-(2-amino-2-oxoethyl)-4-[(E)-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino}cyclohexyl acetate
Wiley ID 1409456