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5-[(4-carbethoxy-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID DDSlfH6cGIj
InChI InChI=1S/C21H28N2O6/c1-6-28-18(24)9-8-15-12(3)19(21(26)27-5)23-17(15)11-14-10-16(13(4)22-14)20(25)29-7-2/h10,22-23H,6-9,11H2,1-5H3
InChIKey JWOVVRBDTQMDAG-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C21H28N2O6
Exact Mass 404.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4A794e1VB1
Name 5-[(4-carbethoxy-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid methyl ester
CAS Registry Number 91238-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O6
InChI InChI=1S/C21H28N2O6/c1-6-28-18(24)9-8-15-12(3)19(21(26)27-5)23-17(15)11-14-10-16(13(4)22-14)20(25)29-7-2/h10,22-23H,6-9,11H2,1-5H3
InChIKey JWOVVRBDTQMDAG-UHFFFAOYSA-N
Molecular Weight 404.463 g/mol
SMILES [nH]1c(Cc2c(c(c([nH]2)C(=O)OC)C)CCC(=O)OCC)cc(c1C)C(=O)OCC
SPLASH splash10-0uk9-0269700000-b7ea3e705e6b520042cc
Source of Spectrum J-49-3335-0
Synonyms 5-[(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-[(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate Methyl 5-[(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1371215