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2-(2,4-Dinitrophenyl)isoquinolinium-chloride
SpectraBase Compound ID GqmC5fkUuJ0
InChI InChI=1S/C15H10N3O4.ClH/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16;/h1-10H;1H/q+1;/p-1
InChIKey XKODWENIEJBEMB-UHFFFAOYSA-M
Mol Weight 331.72 g/mol
Molecular Formula C15H10ClN3O4
Exact Mass 331.035984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fDX9oSbdpv
Name 2-(2,4-Dinitrophenyl)isoquinolinium-chloride
Alternate Name(s) 2-(2,4-dinitrophenyl)isoquinolin-2-ium chloride
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Formula C15H10ClN3O4
InChI InChI=1S/C15H10N3O4.ClH/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16;/h1-10H;1H/q+1;/p-1
InChIKey XKODWENIEJBEMB-UHFFFAOYSA-M
Molecular Weight 331.715 g/mol
SMILES [Cl-].c1(N(=O)=O)c(-[n+]2cc3ccccc3cc2)ccc(N(=O)=O)c1
SPLASH splash10-004i-4910000000-6ffcf6054f2dfde9e7ab
Source of Spectrum K-117-708-0
Wiley ID 1328536