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1-(4-Chlorophenyl)-3-methoxycarbonyl-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
SpectraBase Compound ID DrM9ACvtFVD
InChI InChI=1S/C18H13ClN6O3/c1-28-18(27)15-22-24(13-9-7-11(19)8-10-13)17-14(16(26)23-25(15)17)21-20-12-5-3-2-4-6-12/h2-10H,1H3,(H,23,26)
InChIKey FGHSJUGIDYCPNG-UHFFFAOYSA-N
Mol Weight 396.79 g/mol
Molecular Formula C18H13ClN6O3
Exact Mass 396.073766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ynOwo5uAlV
Name 1-(4-Chlorophenyl)-3-methoxycarbonyl-7-phenylazo-5,6-dihydro-pyrazolo[5,1-c][1,2,4]triazol-6-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN6O3
InChI InChI=1S/C18H13ClN6O3/c1-28-18(27)15-22-24(13-9-7-11(19)8-10-13)17-14(16(26)23-25(15)17)21-20-12-5-3-2-4-6-12/h2-10H,1H3,(H,23,26)
InChIKey FGHSJUGIDYCPNG-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 396.794 g/mol
SMILES N1C(C(=C2N(N=C(N12)C(OC)=O)c1ccc(cc1)Cl)N=Nc1ccccc1)=O
SPLASH splash10-01ta-9434000000-dc45869f0dbced9ae906
Source of Spectrum Y-54-2865-11
Wiley ID 1878572