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ETHYL-6-PHENYL-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 2gV3D6mu9a4
InChI InChI=1S/C21H17N5O3/c1-2-29-19(28)14-12-22-20-24-21-23-15-10-6-7-11-16(15)25(21)17(26(20)18(14)27)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,22,23,24)
InChIKey DSZJGQWMFZOHEE-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C21H17N5O3
Exact Mass 387.133139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR9DO3EhcpO
Name ETHYL-6-PHENYL-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 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N5O3
InChI InChI=1S/C21H17N5O3/c1-2-29-19(28)14-12-22-20-24-21-23-15-10-6-7-11-16(15)25(21)17(26(20)18(14)27)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,22,23,24)
InChIKey DSZJGQWMFZOHEE-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 387.398 g/mol
Sample ID 67811
Solvent DMSO-D6