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3,4-Dimethylpyrrole-2-carboxylic acid, 5-(5-formyl-3,4-dimethylpyrrol-2-yl)methyl-, benzyl ester

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3,4-Dimethylpyrrole-2-carboxylic acid, 5-(5-formyl-3,4-dimethylpyrrol-2-yl)methyl-, benzyl ester
SpectraBase Compound ID 2PYR5ZM5guJ
InChI InChI=1S/C22H24N2O3/c1-13-14(2)20(11-25)23-18(13)10-19-15(3)16(4)21(24-19)22(26)27-12-17-8-6-5-7-9-17/h5-9,11,23-24H,10,12H2,1-4H3
InChIKey HABJGCSEWNWXMR-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C22H24N2O3
Exact Mass 364.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1hwSIjgHjW
Name 3,4-Dimethylpyrrole-2-carboxylic acid, 5-(5-formyl-3,4-dimethylpyrrol-2-yl)methyl-, benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.178692638 u
Formula C22H24N2O3
InChI InChI=1S/C22H24N2O3/c1-13-14(2)20(11-25)23-18(13)10-19-15(3)16(4)21(24-19)22(26)27-12-17-8-6-5-7-9-17/h5-9,11,23-24H,10,12H2,1-4H3
InChIKey HABJGCSEWNWXMR-UHFFFAOYSA-N
Molecular Weight 364.445 g/mol
SMILES C(=O)C=1NC(CC=2NC(C(=O)OCC3=CC=CC=C3)=C(C2C)C)=C(C1C)C