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Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl[4-[(4-nitrophenyl)amino]phenyl]amino]methyl]phenyl ester

View entire compound with spectra: 1 MS (GC)

Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl[4-[(4-nitrophenyl)amino]phenyl]amino]methyl]phenyl ester
SpectraBase Compound ID DvgiCWUIFBY
InChI InChI=1S/C40H43N5O6S/c1-27-23-31(42-36-22-21-34(43(5)6)25-37(36)52(49,50)35-11-9-8-10-12-35)24-28(38(27)51-39(46)40(2,3)4)26-44(7)32-17-13-29(14-18-32)41-30-15-19-33(20-16-30)45(47)48/h8-25,41-42H,26H2,1-7H3
InChIKey GJDBSMWRQHXMQX-UHFFFAOYSA-N
Mol Weight 721.9 g/mol
Molecular Formula C40H43N5O6S
Exact Mass 721.293405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OqFM6NMowB
Name Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl[4-[(4-nitrophenyl)amino]phenyl]amino]methyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H43N5O6S
InChI InChI=1S/C40H43N5O6S/c1-27-23-31(42-36-22-21-34(43(5)6)25-37(36)52(49,50)35-11-9-8-10-12-35)24-28(38(27)51-39(46)40(2,3)4)26-44(7)32-17-13-29(14-18-32)41-30-15-19-33(20-16-30)45(47)48/h8-25,41-42H,26H2,1-7H3
InChIKey GJDBSMWRQHXMQX-UHFFFAOYSA-N
Molecular Weight 721.873 g/mol
SMILES N(c1ccc(N(C)C)cc1S(=O)(=O)c1ccccc1)c1cc(c(c(CN(c2ccc(cc2)Nc2ccc(cc2)[N+]([O-])=O)C)c1)OC(=O)C(C)(C)C)C
SPLASH splash10-0006-9330100000-02decf3f27b62181396a
Source of Spectrum JX-2015-4-1466
Synonyms 4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-2-methyl-6-((methyl(4-((4-nitrophenyl)amino)phenyl)amino)methyl)phenyl pivalate 4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-2-methyl-6-[(methyl{4-[(4-nitrophenyl)amino]phenyl}amino)methyl]phenyl 2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2-methyl-6-[[N-methyl-4-(4-nitroanilino)anilino]methyl]phenyl] ester [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2-methyl-6-[[N-methyl-4-(4-nitroanilino)anilino]methyl]phenyl] 2,2-dimethylpropanoate [4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl-[4-[(4-nitrophenyl)amino]phenyl]amino]methyl]phenyl] 2,2-dimethylpropanoate
Wiley ID 1726849