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(2E)-3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-propenoic acid
SpectraBase Compound ID 9wgWN6GxDLv
InChI InChI=1S/C12H15NO4/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h5-6,13H,4H2,1-3H3,(H,14,15)/b6-5+
InChIKey MMLQKGNQOPYPBE-AATRIKPKSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyBPRxGQo3V
Name (2E)-3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-propenoic acid
CAS Registry Number 52649-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h5-6,13H,4H2,1-3H3,(H,14,15)/b6-5+
InChIKey MMLQKGNQOPYPBE-AATRIKPKSA-N
Molecular Weight 237.255 g/mol
SMILES [nH]1c(c(\C=C\C(=O)O)c(c1C(=O)OCC)C)C
SPLASH splash10-000i-3960000000-788ca005987da6e0fcfb
Source of Spectrum AD-0-2532-0
Synonyms (E)-3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)acrylic acid (E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-propenoic acid (E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid 1H-Pyrrole-2-carboxylic acid, 4-(2-carboxyethenyl)-3,5-dimethyl-, 2-ethyl ester Propenoic acid, 3-(5-ethoxycarbonyl-2,4-dimethyl-3-pyrrolyl)-
Wiley ID 1430153