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ETHYL-6-PHENYL-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 CO3ulw9xtrQ
InChI InChI=1S/C22H19N5O3/c1-3-30-20(29)15-13-23-21-25(2)22-24-16-11-7-8-12-17(16)26(22)18(27(21)19(15)28)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3
InChIKey KTYZVASXDZIHCQ-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C22H19N5O3
Exact Mass 401.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zm7QPM8bC2
Name ETHYL-6-PHENYL-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 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19N5O3
InChI InChI=1S/C22H19N5O3/c1-3-30-20(29)15-13-23-21-25(2)22-24-16-11-7-8-12-17(16)26(22)18(27(21)19(15)28)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3
InChIKey KTYZVASXDZIHCQ-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 401.425 g/mol
Sample ID 67827
Solvent DMSO-D6