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methyl 1-(2,3-dimethoxybenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

View entire compound with spectra: 2 NMR

methyl 1-(2,3-dimethoxybenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 26Lvj3gsOZC
InChI InChI=1S/C22H23NO4/c1-15-18(22(24)27-4)13-19(16-9-6-5-7-10-16)23(15)14-17-11-8-12-20(25-2)21(17)26-3/h5-13H,14H2,1-4H3
InChIKey BUSBJLBSEXAYMJ-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C22H23NO4
Exact Mass 365.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hYUsMU0Cpv
Name Methyl 1-(2,3-dimethoxybenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.162708221 u
Formula C22H23NO4
InChI InChI=1S/C22H23NO4/c1-15-18(22(24)27-4)13-19(16-9-6-5-7-10-16)23(15)14-17-11-8-12-20(25-2)21(17)26-3/h5-13H,14H2,1-4H3
InChIKey BUSBJLBSEXAYMJ-UHFFFAOYSA-N
Molecular Weight 365.429 g/mol
SMILES C=1C=CC(C=2N(C(=C(C(=O)OC)C2)C)CC=2C(=C(OC)C=CC2)OC)=CC1