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Dibenzyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SpectraBase Compound ID zgPjYbfIsi
InChI InChI=1S/C22H21NO4/c1-15-19(21(24)26-13-17-9-5-3-6-10-17)16(2)23-20(15)22(25)27-14-18-11-7-4-8-12-18/h3-12,23H,13-14H2,1-2H3
InChIKey SRWPCHKZZYDJMK-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 886bekcqq3e
Name Dibenzyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CAS Registry Number 52459-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-15-19(21(24)26-13-17-9-5-3-6-10-17)16(2)23-20(15)22(25)27-14-18-11-7-4-8-12-18/h3-12,23H,13-14H2,1-2H3
InChIKey SRWPCHKZZYDJMK-UHFFFAOYSA-N
Molecular Weight 363.413 g/mol
SMILES [nH]1c(c(c(c1C)C(OCc1ccccc1)=O)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9110000000-548181864c891cffc16f
Source of Spectrum AD-0-2532-0
Synonyms 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, bis(phenylmethyl) ester 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid bis(phenylmethyl) ester 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dibenzyl ester bis(phenylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, dibenzyl ester
Wiley ID 1431054