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5-[3-(4-Ethoxyphenyl)sydnon-4-yl]-3-(3-phenylsydnon-4-yl)-1H-[1,2,4]triazole
SpectraBase Compound ID AHnPlnP4R4D
InChI InChI=1S/C20H15N7O5/c1-2-30-14-10-8-13(9-11-14)27-16(20(29)32-25-27)18-21-17(22-23-18)15-19(28)31-24-26(15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H-,21,24,25,28,29)
InChIKey XVPIDRFZZVAUKL-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 1oqBHQcLVQ
Name 5-[3-(4-Ethoxyphenyl)sydnon-4-yl]-3-(3-phenylsydnon-4-yl)-1H-[1,2,4]triazole
Alternate Name(s) 3-(4-Ethoxyphenyl)-4-[(5E)-5-(5-oxo-3-phenyl-4-oxadiazol-3-iumylidene)-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-(5-oxo-3-phenyloxadiazol-3-ium-4-ylidene)-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-(5-oxo-3-phenyl-oxadiazol-3-ium-4-ylidene)-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Ethoxyphenyl)-4-[(5E)-5-(5-oxidanylidene-3-phenyl-1,2,3-oxadiazol-3-ium-4-ylidene)-1,2,4-triazol-3-yl]-2H-1,2,3-oxadiazol-5-olate
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Formula C20H15N7O5
InChI InChI=1S/C20H15N7O5/c1-2-30-14-10-8-13(9-11-14)27-16(20(29)32-25-27)18-21-17(22-23-18)15-19(28)31-24-26(15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H-,21,24,25,28,29)
InChIKey XVPIDRFZZVAUKL-UHFFFAOYSA-N
Molecular Weight 433.384 g/mol
SMILES [nH]1c(nc(n1)-c1[n+](noc1[O-])-c1ccc(cc1)OCC)-c1[n+](noc1[O-])-c1ccccc1
SPLASH splash10-004i-4009100000-f8dfc78d36cd6137a880
Source of Spectrum C5-2004-2882-6
Wiley ID 1617613