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8-(4-Methoxyphenyl)-6-oxo-1,6-dihydro[1,2,4]triazolo[4',3':2,3][1,2,4]triazolo[1,5-a]pyridine-7,9-dicarbonitrile
SpectraBase Compound ID 1fsOn4GSqoz
InChI InChI=1S/C16H9N7O2/c1-25-10-4-2-9(3-5-10)13-11(6-17)14-20-16-21-19-8-22(16)23(14)15(24)12(13)7-18/h2-5,8H,1H3,(H,20,21)
InChIKey ZIZJLODKUDCTNR-UHFFFAOYSA-N
Mol Weight 331.3 g/mol
Molecular Formula C16H9N7O2
Exact Mass 331.081773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InkhxcPbBJw
Name 8-(4-Methoxyphenyl)-6-oxo-1,6-dihydro[1,2,4]triazolo[4',3':2,3][1,2,4]triazolo[1,5-a]pyridine-7,9-dicarbonitrile
Appearance Deep yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N7O2
InChI InChI=1S/C16H9N7O2/c1-25-10-4-2-9(3-5-10)13-11(6-17)14-20-16-21-19-8-22(16)23(14)15(24)12(13)7-18/h2-5,8H,1H3,(H,20,21)
InChIKey ZIZJLODKUDCTNR-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2749
Molecular Weight 331.295 g/mol
SMILES N1N=CN2N3C(C(=C(C(=C3N=C12)C#N)c1ccc(cc1)OC)C#N)=O
SPLASH splash10-0gc0-9386000000-bddf3e596fb02a19aadd
Source of Spectrum Y-54-1609-8
Wiley ID 1878320