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5-8-6-Tricyclic mesoionic amide
SpectraBase Compound ID DpuLXvbszzU
InChI InChI=1S/C18H18N6/c1-12-9-13(2)17-15(10-12)11-19-14(3)20-18-21-24(22-23(17)18)16-7-5-4-6-8-16/h4-10H,11H2,1-3H3
InChIKey XOBRJUAYEOJWAT-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C18H18N6
Exact Mass 318.159295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4191psER8zm
Name 5-8-6-Tricyclic mesoionic amide
Alternate Name(s) 7-Phenyl-3,11,13-trimethyl-2,4,6,7,8,9-tetraazatricyclo[8.6.4.3.0(5,9).0(10,15)]penat-2,6,8,9(15),11,12-hexaene-internal salt
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Formula C18H18N6
InChI InChI=1S/C18H18N6/c1-12-9-13(2)17-15(10-12)11-19-14(3)20-18-21-24(22-23(17)18)16-7-5-4-6-8-16/h4-10H,11H2,1-3H3
InChIKey XOBRJUAYEOJWAT-UHFFFAOYSA-N
Molecular Weight 318.384 g/mol
SMILES c12[n+](n[n](n2)-c2ccccc2)-c2c(C\N=C\([N-]1)C)cc(cc2C)C
SPLASH splash10-004i-3191000000-8537d26bd734326a3bf5
Source of Spectrum Y-37-1133-5
Wiley ID 762800