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5-[3-(4-Methoxyphenyl)sydnon-4-yl]-5-[3-(4-methylphenyl)sydnon-4-yl]-1H-[1,2,4]triazole
SpectraBase Compound ID 7fyFUR5rrzE
InChI InChI=1S/C20H15N7O5/c1-11-3-5-12(6-4-11)26-15(19(28)31-24-26)17-21-18(23-22-17)16-20(29)32-25-27(16)13-7-9-14(30-2)10-8-13/h3-10H,1-2H3,(H-,21,24,25,28,29)
InChIKey CPSXGDPQTWCZTE-UHFFFAOYSA-N
Mol Weight 433.38 g/mol
Molecular Formula C20H15N7O5
Exact Mass 433.113467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRrMJODmb6f
Name 5-[3-(4-Methoxyphenyl)sydnon-4-yl]-5-[3-(4-methylphenyl)sydnon-4-yl]-1H-[1,2,4]triazole
Alternate Name(s) 4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxo-4-oxadiazol-3-iumylidene]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-2H-oxadiazol-5-olate 4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxooxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-2H-oxadiazol-5-olate 4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxo-oxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-3-(p-tolyl)-2H-oxadiazol-5-olate 4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxidanylidene-1,2,3-oxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-2H-1,2,3-oxadiazol-5-olate
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Formula C20H15N7O5
InChI InChI=1S/C20H15N7O5/c1-11-3-5-12(6-4-11)26-15(19(28)31-24-26)17-21-18(23-22-17)16-20(29)32-25-27(16)13-7-9-14(30-2)10-8-13/h3-10H,1-2H3,(H-,21,24,25,28,29)
InChIKey CPSXGDPQTWCZTE-UHFFFAOYSA-N
Molecular Weight 433.384 g/mol
SMILES [nH]1c(nc(n1)-c1[n+](noc1[O-])-c1ccc(cc1)OC)-c1[n+](noc1[O-])-c1ccc(cc1)C
SPLASH splash10-00or-4209000000-d59995c8993abd857c3c
Source of Spectrum C5-2004-2884-6
Wiley ID 1617611