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8-(4-Methoxyphenyl)-2-oxo-6-phenyl-1,2,3,4,5,6,7,8-octahydro-1,4a,5,9-tetraaza-8a-azoniafluorene Chloride
SpectraBase Compound ID INyZQTOxETx
InChI InChI=1S/C21H21N5O2.ClH/c1-28-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)22-21-25-12-11-19(27)23-20(25)24-26(18)21;/h2-10,17-18H,11-13H2,1H3,(H,23,24,27);1H
InChIKey GVVMKVPDTIXIFN-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C21H22ClN5O2
Exact Mass 411.146203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INcBKqcbPkT
Name 8-(4-Methoxyphenyl)-2-oxo-6-phenyl-1,2,3,4,5,6,7,8-octahydro-1,4a,5,9-tetraaza-8a-azoniafluorene Chloride
Alternate Name(s) 4-(4-Methoxyphenyl)-8-oxo-2-phenyl-1,2,3,4,7,8,9,10-octahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride 4-(4-Methoxyphenyl)-8-oxo-2-phenyl-1,2,3,4,7,8,9,10-octahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
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Formula C21H22ClN5O2
InChI InChI=1S/C21H21N5O2.ClH/c1-28-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)22-21-25-12-11-19(27)23-20(25)24-26(18)21;/h2-10,17-18H,11-13H2,1H3,(H,23,24,27);1H
InChIKey GVVMKVPDTIXIFN-UHFFFAOYSA-N
Molecular Weight 411.893 g/mol
SMILES [Cl-].N1C(CC[n]2c1n[n+]1c2NC(CC1c1ccc(OC)cc1)c1ccccc1)=O
SPLASH splash10-000x-1792000000-17096d87cc45dad35efe
Source of Spectrum F-70-694-5a
Wiley ID 1742581