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(E)-2-(2-isoquinolin-2-iumyl)-1,3-dimethoxy-3-oxo-1-propen-1-olate
SpectraBase Compound ID EBrajo6MYlI
InChI InChI=1S/C14H13NO4/c1-18-13(16)12(14(17)19-2)15-8-7-10-5-3-4-6-11(10)9-15/h3-9H,1-2H3
InChIKey RCMSYWPNTPRICX-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C14H13NO4
Exact Mass 259.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SSaoztz2gc
Name (E)-2-(2-isoquinolin-2-iumyl)-1,3-dimethoxy-3-oxo-1-propen-1-olate
CAS Registry Number 17870-65-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4
InChI InChI=1S/C14H13NO4/c1-18-13(16)12(14(17)19-2)15-8-7-10-5-3-4-6-11(10)9-15/h3-9H,1-2H3
InChIKey RCMSYWPNTPRICX-UHFFFAOYSA-N
Molecular Weight 259.261 g/mol
SMILES [C-]([n+]1cc2ccccc2cc1)(C(=O)OC)C(=O)OC
SPLASH splash10-002f-1940000000-d1ec14021507b3593754
Source of Spectrum O-19-286-1
Synonyms (E)-2-isoquinolin-2-ium-2-yl-1,3-dimethoxy-3-oxidanylidene-prop-1-en-1-olate (E)-2-isoquinolin-2-ium-2-yl-1,3-dimethoxy-3-oxo-prop-1-en-1-olate (E)-2-isoquinolin-2-ium-2-yl-3-keto-1,3-dimethoxy-prop-1-en-1-olate Isoquinolinium dimethoxycarbonyl-methylide Isoquinolium,2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
Wiley ID 1262694