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Pentanoic acid, 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(p-tosylamino)-, ethyl ester
SpectraBase Compound ID IF65mSc9jB
InChI InChI=1S/C36H42N2O4S/c1-5-42-35(39)36(3,4)34(37-43(40,41)32-23-21-28(2)22-24-32)33(25-29-15-9-6-10-16-29)38(26-30-17-11-7-12-18-30)27-31-19-13-8-14-20-31/h6-24,33-34,37H,5,25-27H2,1-4H3
InChIKey VWNBKTOYYNXZKF-UHFFFAOYSA-N
Mol Weight 598.8 g/mol
Molecular Formula C36H42N2O4S
Exact Mass 598.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbyK6vNNCga
Name Pentanoic acid, 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(p-tosylamino)-, ethyl ester
Alternate Name(s) 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(tosylamino)valeric acid ethyl ester 4-[bis(phenylmethyl)amino]-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoic acid ethyl ester Ethyl 4-(dibenzylamino)-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate Ethyl 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(p-tolylsulfonylamino)pentanoate Ethyl 4-[bis(phenylmethyl)amino]-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-pentanoate
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Formula C36H42N2O4S
InChI InChI=1S/C36H42N2O4S/c1-5-42-35(39)36(3,4)34(37-43(40,41)32-23-21-28(2)22-24-32)33(25-29-15-9-6-10-16-29)38(26-30-17-11-7-12-18-30)27-31-19-13-8-14-20-31/h6-24,33-34,37H,5,25-27H2,1-4H3
InChIKey VWNBKTOYYNXZKF-UHFFFAOYSA-N
Molecular Weight 598.802 g/mol
SMILES N(C(C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C(=O)OCC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0udi-4009000000-96561cbd92a0e320b83a
Wiley ID 1493546