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Diethyl 2-[indane-1',3'-dione-2'-yl-2'-ylide]-3-pyridinium-1,4-butanedioate
SpectraBase Compound ID D2dOVkrl0XS
InChI InChI=1S/C22H21NO6/c1-3-28-21(26)16(17-19(24)14-10-6-7-11-15(14)20(17)25)18(22(27)29-4-2)23-12-8-5-9-13-23/h5-13,16,18H,3-4H2,1-2H3
InChIKey WDQDEUTYLRXRQW-UHFFFAOYSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AC0c3KhNIFK
Name Diethyl 2-[indane-1',3'-dione-2'-yl-2'-ylide]-3-pyridinium-1,4-butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-3-28-21(26)16(17-19(24)14-10-6-7-11-15(14)20(17)25)18(22(27)29-4-2)23-12-8-5-9-13-23/h5-13,16,18H,3-4H2,1-2H3
InChIKey WDQDEUTYLRXRQW-UHFFFAOYSA-N
Molecular Weight 395.411 g/mol
SMILES [C-]1(C(C([n+]2ccccc2)C(=O)OCC)C(=O)OCC)C(c2ccccc2C1=O)=O
SPLASH splash10-0fi0-9410000000-1f4d506425da6f38ebfa
Source of Spectrum AH-133-1335-8
Synonyms 2-[1,4-diethoxy-1,4-dioxo-3-(1-pyridin-1-iumyl)butan-2-yl]-3-oxo-1-indenolate 2-(1,4-diethoxy-1,4-dioxo-3-pyridin-1-ium-1-ylbutan-2-yl)-3-oxoinden-1-olate 2-(3-Ethoxy-1-ethoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-3-oxo-inden-1-olate 2-[1,4-diethoxy-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-3-oxidanylidene-inden-1-olate
Wiley ID 1546747