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2-(1-pyridin-1-iumyl)propanedioic acid diethyl ester
SpectraBase Compound ID G5l9MQqAfbq
InChI InChI=1S/C12H16NO4/c1-3-16-11(14)10(12(15)17-4-2)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3/q+1
InChIKey QJNLGWWNCFWCFT-UHFFFAOYSA-N
Mol Weight 238.26 g/mol
Molecular Formula C12H16NO4
Exact Mass 238.107933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jqR5DY7JDu
Name 2-(1-pyridin-1-iumyl)propanedioic acid diethyl ester
CAS Registry Number 17281-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16NO4
InChI InChI=1S/C12H16NO4/c1-3-16-11(14)10(12(15)17-4-2)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3/q+1
InChIKey QJNLGWWNCFWCFT-UHFFFAOYSA-N
Molecular Weight 238.263 g/mol
SMILES C([n+]1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9400000000-295468f9848ff9cfcff0
Source of Spectrum O-19-287-6
Synonyms 2-Pyridin-1-ium-1-ylmalonic acid diethyl ester Diethyl 2-pyridin-1-ium-1-ylpropanedioate
Wiley ID 1239463