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ETHYL-6-(2-CHLOROPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
SpectraBase Compound ID zQNI33aedJ
InChI InChI=1S/C21H16ClN5O3/c1-2-30-19(29)13-11-23-20-25-21-24-15-9-5-6-10-16(15)26(21)17(27(20)18(13)28)12-7-3-4-8-14(12)22/h3-11,17H,2H2,1H3,(H,23,24,25)
InChIKey FHPNGXXXPVXZKF-UHFFFAOYSA-N
Mol Weight 421.84 g/mol
Molecular Formula C21H16ClN5O3
Exact Mass 421.094167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VUCaBgtXxe
Name ETHYL-6-(2-CHLOROPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16ClN5O3
InChI InChI=1S/C21H16ClN5O3/c1-2-30-19(29)13-11-23-20-25-21-24-15-9-5-6-10-16(15)26(21)17(27(20)18(13)28)12-7-3-4-8-14(12)22/h3-11,17H,2H2,1H3,(H,23,24,25)
InChIKey FHPNGXXXPVXZKF-UHFFFAOYSA-N
Literature Reference Author A.V.DOLZHENKO,W.K.CHUI,A.V.DOLZHENKO
Literature Reference Citation J.HETCYCL.CHEM.,43,1513(2006)
Literature Reference DOI 10.1002/jhet.5570430614
Molecular Weight 421.843 g/mol
Sample ID 67821
Solvent DMSO-D6