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5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
SpectraBase Compound ID JUmExagAEFZ
InChI InChI=1S/C11H15NO4/c1-4-7-6(3)8(11(15)16-5-2)12-9(7)10(13)14/h12H,4-5H2,1-3H3,(H,13,14)
InChIKey MKNHWTOENPMOPQ-UHFFFAOYSA-N
Mol Weight 225.24 g/mol
Molecular Formula C11H15NO4
Exact Mass 225.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INYB8bc5m07
Name 5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
Alternate Name(s) 5-carbethoxy-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid Pyrrole-2,5-dicarboxylic acid, 4-ethyl-3-methyl-, 2-ethyl ester
CAS Registry Number 53365-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO4
InChI InChI=1S/C11H15NO4/c1-4-7-6(3)8(11(15)16-5-2)12-9(7)10(13)14/h12H,4-5H2,1-3H3,(H,13,14)
InChIKey MKNHWTOENPMOPQ-UHFFFAOYSA-N
Molecular Weight 225.244 g/mol
SMILES [nH]1c(C(=O)O)c(c(C)c1C(=O)OCC)CC
SPLASH splash10-01t9-3940000000-39573607a3325f13eb4c
Source of Spectrum AD-0-2532-0
Wiley ID 1430587