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1-oxo-3-m-chlorophenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-carboxylic acid benzyl ester
SpectraBase Compound ID LdpOCp68IRH
InChI InChI=1S/C23H17ClN4O3/c24-17-9-6-10-18(13-17)26-14-21-25-19-11-4-5-12-20(19)27(21)22(29)28(26)23(30)31-15-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKey WSTIKOTWGIFPQB-UHFFFAOYSA-N
Mol Weight 432.87 g/mol
Molecular Formula C23H17ClN4O3
Exact Mass 432.098918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRe03yWv7Vx
Name 1-oxo-3-m-chlorophenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-carboxylic acid benzyl ester
Appearance Light yellow powder
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Formula C23H17ClN4O3
InChI InChI=1S/C23H17ClN4O3/c24-17-9-6-10-18(13-17)26-14-21-25-19-11-4-5-12-20(19)27(21)22(29)28(26)23(30)31-15-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKey WSTIKOTWGIFPQB-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 432.867 g/mol
SMILES c1cc2c(cc1)[n]1c(n2)CN(N(C1=O)C(OCc1ccccc1)=O)c1cc(ccc1)Cl
SPLASH splash10-0006-9231000000-c8c381687f1834ff7e33
Source of Spectrum CN110003213A
Wiley ID 1874889