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Diethyl 2-[isopropylidene-malonate - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
SpectraBase Compound ID 1JabQwUfsJ2
InChI InChI=1S/C19H23NO8/c1-5-25-15(21)12(13-16(22)27-19(3,4)28-17(13)23)14(18(24)26-6-2)20-10-8-7-9-11-20/h7-12,14H,5-6H2,1-4H3
InChIKey GAXSOOMCXAANDW-UHFFFAOYSA-N
Mol Weight 393.39 g/mol
Molecular Formula C19H23NO8
Exact Mass 393.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkwYPK71vNc
Name Diethyl 2-[isopropylidene-malonate - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO8
InChI InChI=1S/C19H23NO8/c1-5-25-15(21)12(13-16(22)27-19(3,4)28-17(13)23)14(18(24)26-6-2)20-10-8-7-9-11-20/h7-12,14H,5-6H2,1-4H3
InChIKey GAXSOOMCXAANDW-UHFFFAOYSA-N
Molecular Weight 393.392 g/mol
SMILES [C-]1(C(C([n+]2ccccc2)C(=O)OCC)C(=O)OCC)C(OC(OC1=O)(C)C)=O
SPLASH splash10-057r-5920000000-76c8b2afbb3070f36e86
Source of Spectrum AH-133-1335-8
Synonyms 5-[1,4-diethoxy-1,4-dioxo-3-(1-pyridin-1-iumyl)butan-2-yl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate 5-(1,4-diethoxy-1,4-dioxo-3-pyridin-1-ium-1-ylbutan-2-yl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate 5-(3-Ethoxy-1-ethoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate 5-[1,4-diethoxy-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate
Wiley ID 1546748