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3-Acetyl-1-phenyl-7-(2-phenylazo)-1H-pyrazolo[5,1-c][1,2,4]triazol-6(5H)-one
SpectraBase Compound ID Abh7funPsAN
InChI InChI=1S/C18H14N6O2/c1-12(25)16-21-23(14-10-6-3-7-11-14)18-15(17(26)22-24(16)18)20-19-13-8-4-2-5-9-13/h2-11H,1H3,(H,22,26)
InChIKey ZJXVFVQZFPAUDD-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C18H14N6O2
Exact Mass 346.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDhelD2YXL9
Name 3-Acetyl-1-phenyl-7-(2-phenylazo)-1H-pyrazolo[5,1-c][1,2,4]triazol-6(5H)-one
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N6O2
InChI InChI=1S/C18H14N6O2/c1-12(25)16-21-23(14-10-6-3-7-11-14)18-15(17(26)22-24(16)18)20-19-13-8-4-2-5-9-13/h2-11H,1H3,(H,22,26)
InChIKey ZJXVFVQZFPAUDD-UHFFFAOYSA-N
Instrument Name GCMS-QP 1000 EX Shimadzu, GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2892
Molecular Weight 346.350 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(=O)C)c1ccccc1)N=Nc1ccccc1)=O
SPLASH splash10-01ta-9033000000-59564206ab574a680e1d
Source of Spectrum Y-54-2865-15a
Wiley ID 1878573