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ETHYL-6-(4-FLUOROPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE

View entire compound with spectra: 1 NMR

ETHYL-6-(4-FLUOROPHENYL)-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 HiRoclnaH0r
InChI InChI=1S/C21H16FN5O3/c1-2-30-19(29)14-11-23-20-25-21-24-15-5-3-4-6-16(15)26(21)17(27(20)18(14)28)12-7-9-13(22)10-8-12/h3-11,17H,2H2,1H3,(H,23,24,25)
InChIKey GPLMOCAJWQFWBR-UHFFFAOYSA-N
Mol Weight 405.39 g/mol
Molecular Formula C21H16FN5O3
Exact Mass 405.123718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACEIO39Ly2a
Name ETHYL-6-(4-FLUOROPHENYL)-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 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16FN5O3
InChI InChI=1S/C21H16FN5O3/c1-2-30-19(29)14-11-23-20-25-21-24-15-5-3-4-6-16(15)26(21)17(27(20)18(14)28)12-7-9-13(22)10-8-12/h3-11,17H,2H2,1H3,(H,23,24,25)
InChIKey GPLMOCAJWQFWBR-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 405.388 g/mol
Sample ID 67820
Solvent DMSO-D6