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1-oxo-3-p-methylphenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-carboxylic acid n-butyl ester
SpectraBase Compound ID ABzBttHUZuv
InChI InChI=1S/C21H22N4O3/c1-3-4-13-28-21(27)25-20(26)24-18-8-6-5-7-17(18)22-19(24)14-23(25)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKey DARFRVNTONAENF-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C21H22N4O3
Exact Mass 378.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcEaYiJD8zT
Name 1-oxo-3-p-methylphenyl-3,4-dihydrobenzo[4,5]imidazo[1,2-d][1,2,4]triazine-2(1H)-carboxylic acid n-butyl ester
Appearance Colorless crystals
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Formula C21H22N4O3
InChI InChI=1S/C21H22N4O3/c1-3-4-13-28-21(27)25-20(26)24-18-8-6-5-7-17(18)22-19(24)14-23(25)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKey DARFRVNTONAENF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 378.432 g/mol
SMILES c1cc2c(cc1)[n]1c(n2)CN(N(C1=O)C(OCCCC)=O)c1ccc(cc1)C
SPLASH splash10-0059-4390000000-7f3a7e4e1c0243f2a6a9
Source of Spectrum CN110003213A
Wiley ID 1874876