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5-(Ethoxycarbonyl)-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid
SpectraBase Compound ID InLpNgpDvoV
InChI InChI=1S/C14H19NO6/c1-4-20-10(16)7-6-9-11(13(17)18)8(3)15-12(9)14(19)21-5-2/h15H,4-7H2,1-3H3,(H,17,18)
InChIKey PGRGVCUCEWJXSX-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C14H19NO6
Exact Mass 297.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnaJTAgewuO
Name 5-(Ethoxycarbonyl)-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid
Alternate Name(s) 1H-Pyrrole-2,4-dicarboxylic acid, 3-(3-ethoxy-3-oxopropyl)-5-methyl-, 2-ethyl ester 5-carbethoxy-4-(3-ethoxy-3-keto-propyl)-2-methyl-1H-pyrrole-3-carboxylic acid 5-Ethoxycarbonyl-4-(3-ethoxy-3-oxidanylidene-propyl)-2-methyl-1H-pyrrole-3-carboxylic acid Pyrrole-2,4-dicarboxylic acid, 3-(3-methoxy-3-oxopropyl)-5-methyl-, 2-ethyl ester 5-Ethoxycarbonyl-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CAS Registry Number 40515-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO6
InChI InChI=1S/C14H19NO6/c1-4-20-10(16)7-6-9-11(13(17)18)8(3)15-12(9)14(19)21-5-2/h15H,4-7H2,1-3H3,(H,17,18)
InChIKey PGRGVCUCEWJXSX-UHFFFAOYSA-N
Molecular Weight 297.307 g/mol
SMILES [nH]1c(c(c(C(=O)O)c1C)CCC(=O)OCC)C(=O)OCC
SPLASH splash10-0fmi-3790000000-e8689e4276d4765e3119
Source of Spectrum AD-0-2532-0
Wiley ID 1430568