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1H-Pyrrole-3-acetic acid, 2-(ethoxycarbonyl)-4-methyl-, ethyl ester
SpectraBase Compound ID QtkTNviZle
InChI InChI=1S/C12H17NO4/c1-4-16-10(14)6-9-8(3)7-13-11(9)12(15)17-5-2/h7,13H,4-6H2,1-3H3
InChIKey GIJCXFHXBLEISY-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACYyNHkfdBq
Name 1H-Pyrrole-3-acetic acid, 2-(ethoxycarbonyl)-4-methyl-, ethyl ester
CAS Registry Number 87377-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-16-10(14)6-9-8(3)7-13-11(9)12(15)17-5-2/h7,13H,4-6H2,1-3H3
InChIKey GIJCXFHXBLEISY-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES [nH]1cc(c(c1C(=O)OCC)CC(=O)OCC)C
SPLASH splash10-00y0-0930000000-84f8fb7f7675ce152266
Source of Spectrum F-39-1854-0
Synonyms Ethyl 3-(2-ethoxy-2-oxoethyl)-4-methyl-1H-pyrrole-2-carboxylate Ethyl 3-(ethoxycarbonylmethyl)-4-methylpyrrole-2-carboxylate
Wiley ID 1241823