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1H-Pyrrole-3-propanoic acid, 5-(ethoxycarbonyl)-2-methyl-, ethyl ester
SpectraBase Compound ID B0ZzESOFYfA
InChI InChI=1S/C13H19NO4/c1-4-17-12(15)7-6-10-8-11(14-9(10)3)13(16)18-5-2/h8,14H,4-7H2,1-3H3
InChIKey NJVUVDVXYLYXCW-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DqFVFG7dJ8
Name 1H-Pyrrole-3-propanoic acid, 5-(ethoxycarbonyl)-2-methyl-, ethyl ester
Alternate Name(s) 3-[2-(ethoxycarbonyl)ethyl]-5-(ethoxycarbonyl)-2-methylpyrrole Ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 78986-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-4-17-12(15)7-6-10-8-11(14-9(10)3)13(16)18-5-2/h8,14H,4-7H2,1-3H3
InChIKey NJVUVDVXYLYXCW-UHFFFAOYSA-N
Molecular Weight 253.298 g/mol
SMILES [nH]1c(c(cc1C(=O)OCC)CCC(=O)OCC)C
SPLASH splash10-01b9-0930000000-f2e82100003a9d95d176
Source of Spectrum J-46-4611-0
Wiley ID 1256717