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{2-[N-[3-(4-methoxyphenyl)-1-oxopropyl]carbomyl]-3-isopropoxyphenyl}-{4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrol-3-yl}methanone
SpectraBase Compound ID 68qz1YFPtos
InChI InChI=1S/C40H42N2O6/c1-27(2)48-37-8-6-7-34(39(37)41-38(43)22-13-28-9-16-31(45-3)17-10-28)40(44)36-26-42(24-23-29-11-18-32(46-4)19-12-29)25-35(36)30-14-20-33(47-5)21-15-30/h6-12,14-21,25-27H,13,22-24H2,1-5H3,(H,41,43)
InChIKey IJSULKCCQXFJAT-UHFFFAOYSA-N
Mol Weight 646.8 g/mol
Molecular Formula C40H42N2O6
Exact Mass 646.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ip5xBeNi6x4
Name {2-[N-[3-(4-methoxyphenyl)-1-oxopropyl]carbomyl]-3-isopropoxyphenyl}-{4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrol-3-yl}methanone
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Formula C40H42N2O6
InChI InChI=1S/C40H42N2O6/c1-27(2)48-37-8-6-7-34(39(37)41-38(43)22-13-28-9-16-31(45-3)17-10-28)40(44)36-26-42(24-23-29-11-18-32(46-4)19-12-29)25-35(36)30-14-20-33(47-5)21-15-30/h6-12,14-21,25-27H,13,22-24H2,1-5H3,(H,41,43)
InChIKey IJSULKCCQXFJAT-UHFFFAOYSA-N
Molecular Weight 646.784 g/mol
SMILES N(c1c(C(c2c(c[n](c2)CCc2ccc(OC)cc2)-c2ccc(cc2)OC)=O)cccc1OC(C)C)C(=O)CCc1ccc(cc1)OC
SPLASH splash10-0072-0915108000-49b6cd9f16d2d5a595ac
Source of Spectrum F-65-6526-52b
Wiley ID 1680189