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3-Ethoxycarbonyl-1-(4-methylphenyl)-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
SpectraBase Compound ID IhZhj0AcWzh
InChI InChI=1S/C20H18N6O3/c1-3-29-20(28)17-23-25(15-11-9-13(2)10-12-15)19-16(18(27)24-26(17)19)22-21-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,24,27)
InChIKey QCGPGSGCFRFOGJ-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C20H18N6O3
Exact Mass 390.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86ET8KxphuK
Name 3-Ethoxycarbonyl-1-(4-methylphenyl)-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N6O3
InChI InChI=1S/C20H18N6O3/c1-3-29-20(28)17-23-25(15-11-9-13(2)10-12-15)19-16(18(27)24-26(17)19)22-21-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,24,27)
InChIKey QCGPGSGCFRFOGJ-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 390.403 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(OCC)=O)c1ccc(cc1)C)N=Nc1ccccc1)=O
SPLASH splash10-002f-9142000000-d963ebc4f84ab7010d62
Source of Spectrum Y-54-2864-7c
Wiley ID 1878579