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4-Benzyl 2,3-diethyl 1-benzyl-5-methyl-1H-pyrrole-2,3,4-tricarboxylate
SpectraBase Compound ID 22Du2IzKd9m
InChI InChI=1S/C26H27NO6/c1-4-31-25(29)22-21(24(28)33-17-20-14-10-7-11-15-20)18(3)27(23(22)26(30)32-5-2)16-19-12-8-6-9-13-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey HHAPGRXMVVFINW-UHFFFAOYSA-N
Mol Weight 449.5 g/mol
Molecular Formula C26H27NO6
Exact Mass 449.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7wJWg5wtIY
Name 4-Benzyl 2,3-diethyl 1-benzyl-5-methyl-1H-pyrrole-2,3,4-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO6
InChI InChI=1S/C26H27NO6/c1-4-31-25(29)22-21(24(28)33-17-20-14-10-7-11-15-20)18(3)27(23(22)26(30)32-5-2)16-19-12-8-6-9-13-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey HHAPGRXMVVFINW-UHFFFAOYSA-N
Molecular Weight 449.503 g/mol
SMILES c1([n](c(c(c1C(=O)OCC)C(=O)OCc1ccccc1)C)Cc1ccccc1)C(=O)OCC
SPLASH splash10-000i-0933400000-fe32f883c891fcac180d
Source of Spectrum ASC-353-1519/SM4-4f
Wiley ID 1764844