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8-(4-Methoxyphenyl)-3,6-dioxo-1,2,3,6-tetrahydro[1,2,4]triazolo[4',3':2,3][1,2,4]triazolo[1,5-a]pyridine-7,9-dicarbonitrile
SpectraBase Compound ID LW6c7LleE6T
InChI InChI=1S/C16H9N7O3/c1-26-9-4-2-8(3-5-9)12-10(6-17)13-19-15-20-21-16(25)23(15)22(13)14(24)11(12)7-18/h2-5H,1H3,(H,19,20)(H,21,25)
InChIKey MZNHKOUDSMQILM-UHFFFAOYSA-N
Mol Weight 347.29 g/mol
Molecular Formula C16H9N7O3
Exact Mass 347.076687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EtVL8MWbzr
Name 8-(4-Methoxyphenyl)-3,6-dioxo-1,2,3,6-tetrahydro[1,2,4]triazolo[4',3':2,3][1,2,4]triazolo[1,5-a]pyridine-7,9-dicarbonitrile
Appearance Pale brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N7O3
InChI InChI=1S/C16H9N7O3/c1-26-9-4-2-8(3-5-9)12-10(6-17)13-19-15-20-21-16(25)23(15)22(13)14(24)11(12)7-18/h2-5H,1H3,(H,19,20)(H,21,25)
InChIKey MZNHKOUDSMQILM-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2749
Molecular Weight 347.294 g/mol
SMILES N1NC(=O)N2C1=NC1=C(C(c3ccc(cc3)OC)=C(C(N21)=O)C#N)C#N
SPLASH splash10-0v0r-4590000000-ad18f4463df360b8502d
Source of Spectrum Y-54-1608-6
Wiley ID 1878318