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Propanoic acid, 2,2-dimethyl-, 2-[[(4-aminophenyl)methylamino]methyl]-4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-6-methylphenyl ester
SpectraBase Compound ID Eck7PtwX6D8
InChI InChI=1S/C34H40N4O4S/c1-23-19-26(36-30-18-17-28(37(5)6)21-31(30)43(40,41)29-11-9-8-10-12-29)20-24(32(23)42-33(39)34(2,3)4)22-38(7)27-15-13-25(35)14-16-27/h8-21,36H,22,35H2,1-7H3
InChIKey DVUUYGXRMWKZSL-UHFFFAOYSA-N
Mol Weight 600.8 g/mol
Molecular Formula C34H40N4O4S
Exact Mass 600.277027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Et44V9SgVPU
Name Propanoic acid, 2,2-dimethyl-, 2-[[(4-aminophenyl)methylamino]methyl]-4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-6-methylphenyl ester
Alternate Name(s) 2-(((4-aminophenyl)(methyl)amino)methyl)-4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-6-methylphenyl pivalate 2-{[(4-aminophenyl)(methyl)amino]methyl}-4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-6-methylphenyl 2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [2-[(4-amino-N-methylanilino)methyl]-4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-6-methylphenyl] ester [2-[(4-amino-N-methylanilino)methyl]-4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-6-methylphenyl] 2,2-dimethylpropanoate [2-[(4-amino-N-methyl-anilino)methyl]-4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-6-methyl-phenyl] 2,2-dimethylpropanoate [2-[[(4-aminophenyl)-methyl-amino]methyl]-4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-6-methyl-phenyl] 2,2-dimethylpropanoate
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Formula C34H40N4O4S
InChI InChI=1S/C34H40N4O4S/c1-23-19-26(36-30-18-17-28(37(5)6)21-31(30)43(40,41)29-11-9-8-10-12-29)20-24(32(23)42-33(39)34(2,3)4)22-38(7)27-15-13-25(35)14-16-27/h8-21,36H,22,35H2,1-7H3
InChIKey DVUUYGXRMWKZSL-UHFFFAOYSA-N
Molecular Weight 600.778 g/mol
SMILES N(c1ccc(N(C)C)cc1S(=O)(=O)c1ccccc1)c1cc(c(c(CN(c2ccc(cc2)N)C)c1)OC(=O)C(C)(C)C)C
SPLASH splash10-0uka-5957118000-b08d489b23b401734943
Source of Spectrum JX-2015-4-1303
Wiley ID 1726692