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2-(Cyanomethyl)-6-hydroxyisoquinolinium chloride
SpectraBase Compound ID BsbYtRd4Dtu
InChI InChI=1S/C11H8N2O.ClH/c12-4-6-13-5-3-9-7-11(14)2-1-10(9)8-13;/h1-3,5,7-8H,6H2;1H
InChIKey YHSWYBHBKFOICT-UHFFFAOYSA-N
Mol Weight 220.66 g/mol
Molecular Formula C11H9ClN2O
Exact Mass 220.040341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbBN7JG2F0l
Name 2-(Cyanomethyl)-6-hydroxyisoquinolinium chloride
Alternate Name(s) 2-(6-hydroxy-2-isoquinolin-2-iumyl)acetonitrile;chloride 2-(6-oxidanylisoquinolin-2-ium-2-yl)ethanenitrile;chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClN2O
InChI InChI=1S/C11H8N2O.ClH/c12-4-6-13-5-3-9-7-11(14)2-1-10(9)8-13;/h1-3,5,7-8H,6H2;1H
InChIKey YHSWYBHBKFOICT-UHFFFAOYSA-N
Molecular Weight 220.659 g/mol
SMILES [Cl-].Oc1cc2cc[n+](cc2cc1)CC#N
SPLASH splash10-0007-8900000000-c0eedcae165b496bc1af
Source of Spectrum F-68-5501-4
Wiley ID 1717535