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Phenol, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethyl-, 4-nitrobenzoate (ester)
SpectraBase Compound ID KTmk55CQxsW
InChI InChI=1S/C29H27N3O6S/c1-19-17-27(38-29(33)21-10-12-22(13-11-21)32(34)35)20(2)16-26(19)30-25-15-14-23(31(3)4)18-28(25)39(36,37)24-8-6-5-7-9-24/h5-18,30H,1-4H3
InChIKey ABQKGUSBPWRFHX-UHFFFAOYSA-N
Mol Weight 545.61 g/mol
Molecular Formula C29H27N3O6S
Exact Mass 545.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4XzYUxXxbs
Name Phenol, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethyl-, 4-nitrobenzoate (ester)
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Formula C29H27N3O6S
InChI InChI=1S/C29H27N3O6S/c1-19-17-27(38-29(33)21-10-12-22(13-11-21)32(34)35)20(2)16-26(19)30-25-15-14-23(31(3)4)18-28(25)39(36,37)24-8-6-5-7-9-24/h5-18,30H,1-4H3
InChIKey ABQKGUSBPWRFHX-UHFFFAOYSA-N
Molecular Weight 545.610 g/mol
SMILES N(c1ccc(N(C)C)cc1S(=O)(=O)c1ccccc1)c1cc(C)c(OC(=O)c2ccc(cc2)[N+]([O-])=O)cc1C
SPLASH splash10-0002-1245090000-21170534217ed399b2e0
Source of Spectrum JX-2015-4-1145
Synonyms 4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-2,5-dimethylphenyl 4-nitrobenzoate 4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-2,5-dimethylphenyl 4-nitrobenzoate 4-Nitrobenzoic acid [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] ester [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] 4-nitrobenzoate [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethyl-phenyl] 4-nitrobenzoate [4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethyl-phenyl] 4-nitrobenzoate
Wiley ID 1726540