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8-(4-Chlorophenyl)-1-oxo-2,4,5,6-tetrahydro-2,3,7-triazaphenalene
SpectraBase Compound ID DnrsJAMLPuL
InChI InChI=1S/C16H12ClN3O/c17-10-6-4-9(5-7-10)14-8-11-15-12(18-14)2-1-3-13(15)19-20-16(11)21/h4-8H,1-3H2,(H,20,21)
InChIKey JMZJAJVRHBWRLF-UHFFFAOYSA-N
Mol Weight 297.75 g/mol
Molecular Formula C16H12ClN3O
Exact Mass 297.06689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQpYtGyHZB4
Name 8-(4-Chlorophenyl)-1-oxo-2,4,5,6-tetrahydro-2,3,7-triazaphenalene
Alternate Name(s) 5-(4-Chlorophenyl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]cinnolin-3-one
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Formula C16H12ClN3O
InChI InChI=1S/C16H12ClN3O/c17-10-6-4-9(5-7-10)14-8-11-15-12(18-14)2-1-3-13(15)19-20-16(11)21/h4-8H,1-3H2,(H,20,21)
InChIKey JMZJAJVRHBWRLF-UHFFFAOYSA-N
Molecular Weight 297.745 g/mol
SMILES N1C(c2c3C(=N1)CCCc3nc(c2)-c1ccc(cc1)Cl)=O
SPLASH splash10-0002-0090000000-9af0281e30daee89e929
Source of Spectrum H1-41-35-1
Wiley ID 757101