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3-[3-(4-Ethoxyphenyl)sydnon-4-yl]-5-[3-(4-methoxyphenyl)sydnon-4-yl]-1H-[1,2,4]triazole
SpectraBase Compound ID 8MqSnkp2xJi
InChI InChI=1S/C21H17N7O6/c1-3-32-15-10-6-13(7-11-15)28-17(21(30)34-26-28)19-22-18(23-24-19)16-20(29)33-25-27(16)12-4-8-14(31-2)9-5-12/h4-11H,3H2,1-2H3,(H-,22,25,26,29,30)
InChIKey FNAOAERTQSJEON-UHFFFAOYSA-N
Mol Weight 463.41 g/mol
Molecular Formula C21H17N7O6
Exact Mass 463.124031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HM9AOAwNAot
Name 3-[3-(4-Ethoxyphenyl)sydnon-4-yl]-5-[3-(4-methoxyphenyl)sydnon-4-yl]-1H-[1,2,4]triazole
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Formula C21H17N7O6
InChI InChI=1S/C21H17N7O6/c1-3-32-15-10-6-13(7-11-15)28-17(21(30)34-26-28)19-22-18(23-24-19)16-20(29)33-25-27(16)12-4-8-14(31-2)9-5-12/h4-11H,3H2,1-2H3,(H-,22,25,26,29,30)
InChIKey FNAOAERTQSJEON-UHFFFAOYSA-N
Molecular Weight 463.410 g/mol
SMILES [nH]1c(nc(n1)-c1[n+](noc1[O-])-c1ccc(cc1)OCC)-c1[n+](noc1[O-])-c1ccc(cc1)OC
SPLASH splash10-0a4j-2006900000-e0f75176cd2076e1d082
Source of Spectrum C5-2004-2884-6
Synonyms 3-(4-Ethoxyphenyl)-4-[(5E)-5-[3-(4-methoxyphenyl)-5-oxo-4-oxadiazol-3-iumylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-[3-(4-methoxyphenyl)-5-oxooxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-[3-(4-methoxyphenyl)-5-oxo-oxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-[3-(4-methoxyphenyl)-5-oxidanylidene-1,2,3-oxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-2H-1,2,3-oxadiazol-5-olate
Wiley ID 1617609