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Methyl 5-ethoxycarbonyl-3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxylate

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Methyl 5-ethoxycarbonyl-3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxylate
SpectraBase Compound ID F7LbXcZouFS
InChI InChI=1S/C33H35NO8/c1-7-42-33(36)31-28(22-10-15-25(38-3)16-11-22)29(23-12-17-26(39-4)27(20-23)40-5)30(32(35)41-6)34(31)19-18-21-8-13-24(37-2)14-9-21/h8-17,20H,7,18-19H2,1-6H3
InChIKey CVBBZQOVQLWEIV-UHFFFAOYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C33H35NO8
Exact Mass 573.236267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uGVSxNnTO4
Name Methyl 5-ethoxycarbonyl-3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.236267083 u
Formula C33H35NO8
InChI InChI=1S/C33H35NO8/c1-7-42-33(36)31-28(22-10-15-25(38-3)16-11-22)29(23-12-17-26(39-4)27(20-23)40-5)30(32(35)41-6)34(31)19-18-21-8-13-24(37-2)14-9-21/h8-17,20H,7,18-19H2,1-6H3
InChIKey CVBBZQOVQLWEIV-UHFFFAOYSA-N
Molecular Weight 573.642 g/mol
SMILES C=1(N(C(=C(C1C=1C=C(C(=CC1)OC)OC)C=1C=CC(=CC1)OC)C(=O)OCC)CCC=1C=CC(=CC1)OC)C(=O)OC