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3-[3-(4-Methoxyphenyl)sydnon-4-yl]-5-[3-(4-methoxyphenyl)sydnon-4-yl)]-1H-[1,2,4]triazole
SpectraBase Compound ID ANJ3V7VlwuB
InChI InChI=1S/C20H15N7O6/c1-30-13-7-3-11(4-8-13)26-15(19(28)32-24-26)17-21-18(23-22-17)16-20(29)33-25-27(16)12-5-9-14(31-2)10-6-12/h3-10H,1-2H3,(H-,21,24,25,28,29)
InChIKey ZZBQKPIJQAGELX-UHFFFAOYSA-N
Mol Weight 449.38 g/mol
Molecular Formula C20H15N7O6
Exact Mass 449.108381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5gsov6gAU9
Name 3-[3-(4-Methoxyphenyl)sydnon-4-yl]-5-[3-(4-methoxyphenyl)sydnon-4-yl)]-1H-[1,2,4]triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N7O6
InChI InChI=1S/C20H15N7O6/c1-30-13-7-3-11(4-8-13)26-15(19(28)32-24-26)17-21-18(23-22-17)16-20(29)33-25-27(16)12-5-9-14(31-2)10-6-12/h3-10H,1-2H3,(H-,21,24,25,28,29)
InChIKey ZZBQKPIJQAGELX-UHFFFAOYSA-N
Molecular Weight 449.383 g/mol
SMILES [nH]1c(nc(n1)-c1[n+](noc1[O-])-c1ccc(cc1)OC)-c1[n+](noc1[O-])-c1ccc(cc1)OC
SPLASH splash10-057l-6409100000-99023b15a29a8d497634
Source of Spectrum C5-2004-2884-6
Synonyms 3-(4-Methoxyphenyl)-4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxo-4-oxadiazol-3-iumylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Methoxyphenyl)-4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxooxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Methoxyphenyl)-4-[(5Z)-5-[3-(4-methoxyphenyl)-5-oxo-oxadiazol-3-ium-4-ylidene]-1,2,4-triazol-3-yl]-2H-oxadiazol-5-olate 3-(4-Methoxyphenyl)-4-[(5Z)-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 1617610