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3-Acetyl-7-(2-(4-nitrophenyl)azo)-1-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazol-6(5H)-one
SpectraBase Compound ID ISkXG4yeOOz
InChI InChI=1S/C18H13N7O4/c1-11(26)16-21-23(13-5-3-2-4-6-13)18-15(17(27)22-24(16)18)20-19-12-7-9-14(10-8-12)25(28)29/h2-10H,1H3,(H,22,27)
InChIKey IACPHVXVFLZTEG-UHFFFAOYSA-N
Mol Weight 391.35 g/mol
Molecular Formula C18H13N7O4
Exact Mass 391.102902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmK13Yh0YwV
Name 3-Acetyl-7-(2-(4-nitrophenyl)azo)-1-phenyl-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 C18H13N7O4
InChI InChI=1S/C18H13N7O4/c1-11(26)16-21-23(13-5-3-2-4-6-13)18-15(17(27)22-24(16)18)20-19-12-7-9-14(10-8-12)25(28)29/h2-10H,1H3,(H,22,27)
InChIKey IACPHVXVFLZTEG-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 391.347 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(=O)C)c1ccccc1)N=Nc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-03fu-9333000000-adfe32ec11f419407f6f
Source of Spectrum Y-54-2865-15b
Wiley ID 1878574