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1-{3'-[5"-Methyl-1",1"-bis(4'''-methylbenzenesulfonyl)-3"-imidazole]acetyl}-3,3-dimethylindoline
SpectraBase Compound ID 8UHPIDmycvZ
InChI InChI=1S/C36H39N5O5S2/c1-24-11-15-29(16-12-24)47(43,44)40-22-37-32(26(40)3)19-28(35(42)39-21-36(5,6)31-9-7-8-10-34(31)39)20-33-27(4)41(23-38-33)48(45,46)30-17-13-25(2)14-18-30/h7-18,22-23,28H,19-21H2,1-6H3
InChIKey AFBWTEBTSKQHPE-UHFFFAOYSA-N
Mol Weight 685.9 g/mol
Molecular Formula C36H39N5O5S2
Exact Mass 685.239262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gsvvfpo1r3I
Name 1-{3'-[5"-Methyl-1",1"-bis(4'''-methylbenzenesulfonyl)-3"-imidazole]acetyl}-3,3-dimethylindoline
Alternate Name(s) 1-{3'-[5''-Methyl-1'',1''-bis(4'''-methylbenzenesulfonyl)-3''-imidazole]acetyl}-3,3-dimethylindoline 1-(3,3-dimethyl-2H-indol-1-yl)-3-[5-methyl-1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-[[5-methyl-1-(4-methylphenyl)sulfonyl-4-imidazolyl]methyl]-1-propanone 1-(3,3-dimethyl-2H-indol-1-yl)-3-[5-methyl-1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[[5-methyl-1-(4-methylphenyl)sulfonylimidazol-4-yl]methyl]propan-1-one 1-(3,3-dimethylindolin-1-yl)-3-[5-methyl-1-(p-tolylsulfonyl)imidazol-4-yl]-2-[[5-methyl-1-(p-tolylsulfonyl)imidazol-4-yl]methyl]propan-1-one 1-(3,3-dimethyl-2H-indol-1-yl)-3-[5-methyl-1-(4-methylphenyl)sulfonyl-imidazol-4-yl]-2-[[5-methyl-1-(4-methylphenyl)sulfonyl-imidazol-4-yl]methyl]propan-1-one
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Formula C36H39N5O5S2
InChI InChI=1S/C36H39N5O5S2/c1-24-11-15-29(16-12-24)47(43,44)40-22-37-32(26(40)3)19-28(35(42)39-21-36(5,6)31-9-7-8-10-34(31)39)20-33-27(4)41(23-38-33)48(45,46)30-17-13-25(2)14-18-30/h7-18,22-23,28H,19-21H2,1-6H3
InChIKey AFBWTEBTSKQHPE-UHFFFAOYSA-N
Molecular Weight 685.858 g/mol
SMILES c1(S([n]2c(c(CC(C(N3c4c(cccc4)C(C3)(C)C)=O)Cc3c([n](S(c4ccc(cc4)C)(=O)=O)cn3)C)nc2)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0159-0091010000-4e698d34be0e2cfebe16
Source of Spectrum SK-24-1099-9
Wiley ID 866148