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2-(Cyanomethyl)isoquinolinium chloride
SpectraBase Compound ID 35xvrePrSrS
InChI InChI=1S/C11H9N2.ClH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h1-5,7,9H,8H2;1H/q+1;/p-1
InChIKey XREHMOGJEYQRIO-UHFFFAOYSA-M
Mol Weight 204.66 g/mol
Molecular Formula C11H9ClN2
Exact Mass 204.045426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zauQ7gj5dv
Name 2-(Cyanomethyl)isoquinolinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClN2
InChI InChI=1S/C11H9N2.ClH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h1-5,7,9H,8H2;1H/q+1;/p-1
InChIKey XREHMOGJEYQRIO-UHFFFAOYSA-M
Molecular Weight 204.660 g/mol
SMILES [Cl-].c1[n+](ccc2ccccc12)CC#N
SPLASH splash10-0fvl-7900000000-808085e45d30e8cd8a17
Source of Spectrum F-68-5500-1
Synonyms 2-(2-isoquinolin-2-iumyl)acetonitrile;chloride 2-isoquinolin-2-ium-2-ylethanenitrile;chloride
Wiley ID 1717538