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Isoquinolinium, 2-methyl-1-phenyl-, perchloroate
SpectraBase Compound ID BYDpP2Gsup7
InChI InChI=1S/C16H14N.ClHO4/c1-17-12-11-13-7-5-6-10-15(13)16(17)14-8-3-2-4-9-14;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey MYMYKVAQFFRFBV-UHFFFAOYSA-M
Mol Weight 319.74 g/mol
Molecular Formula C16H14ClNO4
Exact Mass 319.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxJLRWRgFS6
Name Isoquinolinium, 2-methyl-1-phenyl-, perchloroate
CAS Registry Number 52806-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO4
InChI InChI=1S/C16H14N.ClHO4/c1-17-12-11-13-7-5-6-10-15(13)16(17)14-8-3-2-4-9-14;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey MYMYKVAQFFRFBV-UHFFFAOYSA-M
Molecular Weight 319.744 g/mol
SMILES c1([n+](ccc2ccccc12)C)-c1ccccc1.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-0zg3-4390000000-a9e583de4f58638fc5bd
Source of Spectrum O-8-362-16
Synonyms 2-Methyl-1-phenylisoquinolinium perchlorate
Wiley ID 1319242