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9-Chloro-5,6-dihydro-2-phenylthiazolo[2,3-a]isoquinolin-4-ium 3-Oxide
SpectraBase Compound ID LAQZ5Mgfzyv
InChI InChI=1S/C17H12ClNOS/c18-13-7-6-11-8-9-19-16(20)15(12-4-2-1-3-5-12)21-17(19)14(11)10-13/h1-7,10H,8-9H2
InChIKey CAWWJFSFFNFSIM-UHFFFAOYSA-N
Mol Weight 313.8 g/mol
Molecular Formula C17H12ClNOS
Exact Mass 313.032813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwirHZTtYVI
Name 9-Chloro-5,6-dihydro-2-phenylthiazolo[2,3-a]isoquinolin-4-ium 3-Oxide
Comments Less than 3 mono-isotopic peaks
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Formula C17H12ClNOS
InChI InChI=1S/C17H12ClNOS/c18-13-7-6-11-8-9-19-16(20)15(12-4-2-1-3-5-12)21-17(19)14(11)10-13/h1-7,10H,8-9H2
InChIKey CAWWJFSFFNFSIM-UHFFFAOYSA-N
Molecular Weight 313.802 g/mol
SMILES c-12[n+](c(c(s2)-c2ccccc2)[O-])CCc2ccc(cc12)Cl
SPLASH splash10-03di-0209000000-820dc59faf45a9244283
Source of Spectrum H-73-775-41
Synonyms 9-chloro-2-phenyl-5H,6H-[1,3]thiazolo[2,3-a]isoquinolin-4-ium-3-olate
Wiley ID 1314205