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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1TnON4CdKC
Name 3,4-Dimethylpyrrole-2-carboxylic acid, 5-(5-formyl-3,4-dimethylpyrrol-2-yl)methyl-, benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 [nH]1c(Cc2c(C)c(C)c([nH]2)C(=O)OCc2ccccc2)c(c(c1C=O)C)C
SPLASH splash10-03fr-4796000000-12297d615d64e222ee96
Synonyms (phenylmethyl) 5-[(5-methanoyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate 5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Benzyl 5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1479195