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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhPHJLSkGII
Name 3,4-bis(4-Hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2,5-bis(4-methoxybenzoyl)pyrrole
Comments Computed using HOSE algorithm
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Exact Mass 639.225702400 u
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 C=1(N(C(=C(C1C=1C=CC(=CC1)O)C=1C=CC(=CC1)O)C(C=1C=CC(=CC1)OC)=O)CCC=1C=CC(=CC1)O)C(C=1C=CC(=CC1)OC)=O