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9-Chloro-3-phenyl[1,2,4]triazolo[4',3':1,2]-pyrimido[4,5-b]quinoline-5,6(1H,4H,11H)dione
SpectraBase Compound ID CvxpIEPyYEg
InChI InChI=1S/C18H10ClN5O2/c19-10-6-7-11-12(8-10)20-15-13(14(11)25)17(26)24-16(22-23-18(24)21-15)9-4-2-1-3-5-9/h1-8H,(H2,20,21,23,25)
InChIKey HETLITLHVGTZRW-UHFFFAOYSA-N
Mol Weight 363.76 g/mol
Molecular Formula C18H10ClN5O2
Exact Mass 363.052302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIzpK2mV3eV
Name 9-Chloro-3-phenyl[1,2,4]triazolo[4',3':1,2]-pyrimido[4,5-b]quinoline-5,6(1H,4H,11H)dione
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10ClN5O2
InChI InChI=1S/C18H10ClN5O2/c19-10-6-7-11-12(8-10)20-15-13(14(11)25)17(26)24-16(22-23-18(24)21-15)9-4-2-1-3-5-9/h1-8H,(H2,20,21,23,25)
InChIKey HETLITLHVGTZRW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2645
Molecular Weight 363.764 g/mol
SMILES N1c2c(C(C=3C(N4C(=NC13)NN=C4c1ccccc1)=O)=O)ccc(c2)Cl
SPLASH splash10-00dr-3914000000-78e4b9142d09a4f690d1
Source of Spectrum Y-54-856-18
Wiley ID 1877948