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3-Ethoxycarbonyl-1-(4-nitrophenyl)-7-(4-nitrophenylazo)-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
SpectraBase Compound ID DYc5tecViGt
InChI InChI=1S/C19H14N8O7/c1-2-34-19(29)16-22-24(12-7-9-14(10-8-12)27(32)33)18-15(17(28)23-25(16)18)21-20-11-3-5-13(6-4-11)26(30)31/h3-10H,2H2,1H3,(H,23,28)
InChIKey MGIFBMMJQMZNOQ-UHFFFAOYSA-N
Mol Weight 466.37 g/mol
Molecular Formula C19H14N8O7
Exact Mass 466.098545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29fwiMk0uPL
Name 3-Ethoxycarbonyl-1-(4-nitrophenyl)-7-(4-nitrophenylazo)-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
Appearance Dark orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N8O7
InChI InChI=1S/C19H14N8O7/c1-2-34-19(29)16-22-24(12-7-9-14(10-8-12)27(32)33)18-15(17(28)23-25(16)18)21-20-11-3-5-13(6-4-11)26(30)31/h3-10H,2H2,1H3,(H,23,28)
InChIKey MGIFBMMJQMZNOQ-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 466.370 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(OCC)=O)c1ccc(cc1)[N+]([O-])=O)N=Nc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-01r6-9500000000-3ef3558d54753c3f5506
Source of Spectrum Y-54-2865-7j
Wiley ID 1878585