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1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, 4-methyl 2-(phenylmethyl) ester
SpectraBase Compound ID 9yyteRZAfEx
InChI InChI=1S/C16H15NO5/c1-10-13(15(19)21-2)12(8-18)17-14(10)16(20)22-9-11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3
InChIKey ZOIUZHLMOGVXJQ-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C16H15NO5
Exact Mass 301.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItgQY6eRNMI
Name 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, 4-methyl 2-(phenylmethyl) ester
CAS Registry Number 52459-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO5
InChI InChI=1S/C16H15NO5/c1-10-13(15(19)21-2)12(8-18)17-14(10)16(20)22-9-11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3
InChIKey ZOIUZHLMOGVXJQ-UHFFFAOYSA-N
Molecular Weight 301.298 g/mol
SMILES [nH]1c(c(c(c1C=O)C(=O)OC)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9011000000-266bf7faf741b6bbf604
Source of Spectrum KC-1986-1572-4
Synonyms 2-Benzyl 4-methyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Benzyl 5-formyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1303781