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4,4'-Dimethyl-6,6'-dinitro-2,2'-(phenyliminodimethylene)-diphenol
SpectraBase Compound ID GnWb0YmzZcw
InChI InChI=1S/C22H21N3O6/c1-14-8-16(21(26)19(10-14)24(28)29)12-23(18-6-4-3-5-7-18)13-17-9-15(2)11-20(22(17)27)25(30)31/h3-11,26-27H,12-13H2,1-2H3
InChIKey XRZVXTHVYRTHDJ-UHFFFAOYSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H21N3O6
Exact Mass 423.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59M2l6nivDu
Name 4,4'-Dimethyl-6,6'-dinitro-2,2'-(phenyliminodimethylene)-diphenol
Alternate Name(s) 2-{[(2-hydroxy-5-methyl-3-nitrobenzyl)anilino]methyl}-4-methyl-6-nitrophenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O6
InChI InChI=1S/C22H21N3O6/c1-14-8-16(21(26)19(10-14)24(28)29)12-23(18-6-4-3-5-7-18)13-17-9-15(2)11-20(22(17)27)25(30)31/h3-11,26-27H,12-13H2,1-2H3
InChIKey XRZVXTHVYRTHDJ-UHFFFAOYSA-N
Molecular Weight 423.425 g/mol
SMILES Oc1c(CN(Cc2c(c(cc(c2)C)N(=O)=O)O)c2ccccc2)cc(cc1N(=O)=O)C
SPLASH splash10-05mo-9470400000-6b9fcfae708831369439
Source of Spectrum KC-1984-1291-0
Wiley ID 1378943