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Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl(4-nitrophenyl)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-nitrophenyl)amino]methyl]phenyl ester
SpectraBase Compound ID 1CHiVBTubJe
InChI InChI=1S/C34H38N4O6S/c1-23-19-25(35-30-18-17-28(36(5)6)21-31(30)45(42,43)29-11-9-8-10-12-29)20-24(32(23)44-33(39)34(2,3)4)22-37(7)26-13-15-27(16-14-26)38(40)41/h8-21,35H,22H2,1-7H3
InChIKey YVIFJJNXXPJDKM-UHFFFAOYSA-N
Mol Weight 630.8 g/mol
Molecular Formula C34H38N4O6S
Exact Mass 630.251206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fXgfoIorS8
Name Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl(4-nitrophenyl)amino]methyl]phenyl ester
Alternate Name(s) 4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-2-methyl-6-((methyl(4-nitrophenyl)amino)methyl)phenyl pivalate 4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-2-methyl-6-{[methyl(4-nitrophenyl)amino]methyl}phenyl 2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2-methyl-6-[(N-methyl-4-nitroanilino)methyl]phenyl] ester [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2-methyl-6-[(N-methyl-4-nitroanilino)methyl]phenyl] 2,2-dimethylpropanoate [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2-methyl-6-[(N-methyl-4-nitro-anilino)methyl]phenyl] 2,2-dimethylpropanoate [4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl-(4-nitrophenyl)amino]methyl]phenyl] 2,2-dimethylpropanoate
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Formula C34H38N4O6S
InChI InChI=1S/C34H38N4O6S/c1-23-19-25(35-30-18-17-28(36(5)6)21-31(30)45(42,43)29-11-9-8-10-12-29)20-24(32(23)44-33(39)34(2,3)4)22-37(7)26-13-15-27(16-14-26)38(40)41/h8-21,35H,22H2,1-7H3
InChIKey YVIFJJNXXPJDKM-UHFFFAOYSA-N
Molecular Weight 630.760 g/mol
SMILES N(c1ccc(N(C)C)cc1S(=O)(=O)c1ccccc1)c1cc(C)c(OC(=O)C(C)(C)C)c(CN(c2ccc(cc2)[N+]([O-])=O)C)c1
SPLASH splash10-001i-6556119000-4f9c7dbb8158070784df
Source of Spectrum JX-2015-4-1354
Wiley ID 1726742