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3,4-Bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2,5-bis(4-methoxybenzoyl)pyrrole
SpectraBase Compound ID rtjBLPOApw
InChI InChI=1S/C40H33NO7/c1-47-33-19-9-28(10-20-33)39(45)37-35(26-5-15-31(43)16-6-26)36(27-7-17-32(44)18-8-27)38(40(46)29-11-21-34(48-2)22-12-29)41(37)24-23-25-3-13-30(42)14-4-25/h3-22,42-44H,23-24H2,1-2H3
InChIKey BCLLIGXQIYJMQJ-UHFFFAOYSA-N
Mol Weight 639.7 g/mol
Molecular Formula C40H33NO7
Exact Mass 639.225702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Kdb63wICjg
Name 3,4-Bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2,5-bis(4-methoxybenzoyl)pyrrole
Alternate Name(s) [3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-5-(4-methoxybenzoyl)-1H-pyrrol-2-yl](4-methoxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H33NO7
InChI InChI=1S/C40H33NO7/c1-47-33-19-9-28(10-20-33)39(45)37-35(26-5-15-31(43)16-6-26)36(27-7-17-32(44)18-8-27)38(40(46)29-11-21-34(48-2)22-12-29)41(37)24-23-25-3-13-30(42)14-4-25/h3-22,42-44H,23-24H2,1-2H3
InChIKey BCLLIGXQIYJMQJ-UHFFFAOYSA-N
Molecular Weight 639.704 g/mol
SMILES Oc1ccc(-c2c([n](c(c2-c2ccc(cc2)O)C(c2ccc(cc2)OC)=O)CCc2ccc(cc2)O)C(c2ccc(cc2)OC)=O)cc1
SPLASH splash10-00y0-0800093000-3166994f6c56eb4abe5e
Source of Spectrum F4-0-3047-9
Wiley ID 1620604