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3,4-Bis(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dicarboxylic acid

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3,4-Bis(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dicarboxylic acid
SpectraBase Compound ID 8nfqCJtwacO
InChI InChI=1S/C29H27NO7/c1-35-21-10-4-18(5-11-21)16-17-30-26(28(31)32)24(19-6-12-22(36-2)13-7-19)25(27(30)29(33)34)20-8-14-23(37-3)15-9-20/h4-15H,16-17H2,1-3H3,(H,31,32)(H,33,34)
InChIKey OJCPTGBNJCVYIG-UHFFFAOYSA-N
Mol Weight 501.54 g/mol
Molecular Formula C29H27NO7
Exact Mass 501.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJmhMV2idN3
Name 3,4-bis(4-Methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dicarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 501.178752206 u
Formula C29H27NO7
InChI InChI=1S/C29H27NO7/c1-35-21-10-4-18(5-11-21)16-17-30-26(28(31)32)24(19-6-12-22(36-2)13-7-19)25(27(30)29(33)34)20-8-14-23(37-3)15-9-20/h4-15H,16-17H2,1-3H3,(H,31,32)(H,33,34)
InChIKey OJCPTGBNJCVYIG-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES C=1(N(C(=C(C1C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)C(=O)O)CCC=1C=CC(=CC1)OC)C(=O)O