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1-oxo-3-p-chlorophenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-formic acid isoButyl ester
SpectraBase Compound ID 9CaKsIu5Qp4
InChI InChI=1S/C20H19ClN4O3/c1-13(2)12-28-20(27)25-19(26)24-17-6-4-3-5-16(17)22-18(24)11-23(25)15-9-7-14(21)8-10-15/h3-10,13H,11-12H2,1-2H3
InChIKey CCTBMGUVHAIBHQ-UHFFFAOYSA-N
Mol Weight 398.85 g/mol
Molecular Formula C20H19ClN4O3
Exact Mass 398.114568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSHDh4weMNK
Name 1-oxo-3-p-chlorophenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-formic acid isoButyl ester
Appearance Colorless crystals
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Formula C20H19ClN4O3
InChI InChI=1S/C20H19ClN4O3/c1-13(2)12-28-20(27)25-19(26)24-17-6-4-3-5-16(17)22-18(24)11-23(25)15-9-7-14(21)8-10-15/h3-10,13H,11-12H2,1-2H3
InChIKey CCTBMGUVHAIBHQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 398.850 g/mol
SMILES c1cc2c(cc1)[n]1c(n2)CN(N(C1=O)C(OCC(C)C)=O)c1ccc(cc1)Cl
SPLASH splash10-000t-3890000000-de31ed11ecd11067e757
Source of Spectrum CN110003213A
Wiley ID 1874870