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Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide
SpectraBase Compound ID 9BA95N3kmf5
InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)13(9-15)16-8-7-11-5-3-4-6-12(11)10-16/h3-8,10H,2H2,1H3
InChIKey HDCNMXPXSJRTEF-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C14H12N2O2
Exact Mass 240.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Kaelv7apVu
Name Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide
Alternate Name(s) 1-cyano-2-ethoxy-1-(isoquinolin-2-ium-2-yl)-2-oxoethanide Isoquinolinium cyano(ethoxycarbonyl)methylide Isoquinolinium ethoxycarbonyl-cyano-methylide
CAS Registry Number 37026-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2
InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)13(9-15)16-8-7-11-5-3-4-6-12(11)10-16/h3-8,10H,2H2,1H3
InChIKey HDCNMXPXSJRTEF-UHFFFAOYSA-N
Molecular Weight 240.262 g/mol
SMILES [C-]([n+]1cc2ccccc2cc1)(C(=O)OCC)C#N
SPLASH splash10-014l-1910000000-0fd06343b8522ea5781e
Source of Spectrum O-19-286-4
Wiley ID 1243036