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ETHYL-6-(3-METHYLPHENYL)-13-METHYL-4-OXO-6,13-DIHYDRO-4H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
SpectraBase Compound ID 1KZRBE0CkSV
InChI InChI=1S/C23H21N5O3/c1-4-31-21(30)16-13-24-22-26(3)23-25-17-10-5-6-11-18(17)27(23)19(28(22)20(16)29)15-9-7-8-14(2)12-15/h5-13,19H,4H2,1-3H3
InChIKey AZCCNWBHZJVPMB-UHFFFAOYSA-N
Mol Weight 415.45 g/mol
Molecular Formula C23H21N5O3
Exact Mass 415.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90unGYyDo4c
Name ETHYL-6-(3-METHYLPHENYL)-13-METHYL-4-OXO-6,13-DIHYDRO-4H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N5O3
InChI InChI=1S/C23H21N5O3/c1-4-31-21(30)16-13-24-22-26(3)23-25-17-10-5-6-11-18(17)27(23)19(28(22)20(16)29)15-9-7-8-14(2)12-15/h5-13,19H,4H2,1-3H3
InChIKey AZCCNWBHZJVPMB-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 415.451 g/mol
Sample ID 67829
Solvent DMSO-D6