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1-(4-Chlorophenyl)-3-ethoxycarbonyl-7-(4-nitrophenylazo)-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
SpectraBase Compound ID 6Deii6pRFxf
InChI InChI=1S/C19H14ClN7O5/c1-2-32-19(29)16-23-25(13-7-3-11(20)4-8-13)18-15(17(28)24-26(16)18)22-21-12-5-9-14(10-6-12)27(30)31/h3-10H,2H2,1H3,(H,24,28)
InChIKey BWTGQVYHDLEGCA-UHFFFAOYSA-N
Mol Weight 455.82 g/mol
Molecular Formula C19H14ClN7O5
Exact Mass 455.074494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XRumbZafQw
Name 1-(4-Chlorophenyl)-3-ethoxycarbonyl-7-(4-nitrophenylazo)-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClN7O5
InChI InChI=1S/C19H14ClN7O5/c1-2-32-19(29)16-23-25(13-7-3-11(20)4-8-13)18-15(17(28)24-26(16)18)22-21-12-5-9-14(10-6-12)27(30)31/h3-10H,2H2,1H3,(H,24,28)
InChIKey BWTGQVYHDLEGCA-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 455.818 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(OCC)=O)c1ccc(cc1)Cl)N=Nc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-03di-9522100000-ab68ebd2f216931b1576
Source of Spectrum Y-54-2864-7h
Wiley ID 1878583