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3-Ethoxycarbonyl-1-(4-nitrophenyl)-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
SpectraBase Compound ID Ixlgr1FpLNT
InChI InChI=1S/C19H15N7O5/c1-2-31-19(28)16-22-24(13-8-10-14(11-9-13)26(29)30)18-15(17(27)23-25(16)18)21-20-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,27)
InChIKey HUNDKVLYHXLKGJ-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C19H15N7O5
Exact Mass 421.113467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfxPSBjWTNz
Name 3-Ethoxycarbonyl-1-(4-nitrophenyl)-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N7O5
InChI InChI=1S/C19H15N7O5/c1-2-31-19(28)16-22-24(13-8-10-14(11-9-13)26(29)30)18-15(17(27)23-25(16)18)21-20-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,27)
InChIKey HUNDKVLYHXLKGJ-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 421.373 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(OCC)=O)c1ccc(cc1)[N+]([O-])=O)N=Nc1ccccc1)=O
SPLASH splash10-004i-9002100000-3510164a309f3792e33a
Source of Spectrum Y-54-2864-7d
Wiley ID 1878580