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2,3,6,7-TETRAHYDRO-8-METHOXY-2-(4-METHYLPHENYL)-4-(4-NITROPHENYL)-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID Hcqa7sqRGjV
InChI InChI=1S/C21H19N5O4/c1-12-3-5-13(6-4-12)17-11-16(14-7-9-15(10-8-14)26(28)29)22-18-19(23-17)24-21(30-2)25-20(18)27/h3-10,17H,11H2,1-2H3,(H2,23,24,25,27)
InChIKey ZHONCIYLUYVPBQ-UHFFFAOYSA-N
Mol Weight 405.41 g/mol
Molecular Formula C21H19N5O4
Exact Mass 405.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xmmUZEg48t
Name 2,3,6,7-TETRAHYDRO-8-METHOXY-2-(4-METHYLPHENYL)-4-(4-NITROPHENYL)-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19N5O4
InChI InChI=1S/C21H19N5O4/c1-12-3-5-13(6-4-12)17-11-16(14-7-9-15(10-8-14)26(28)29)22-18-19(23-17)24-21(30-2)25-20(18)27/h3-10,17H,11H2,1-2H3,(H2,23,24,25,27)
InChIKey ZHONCIYLUYVPBQ-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,M.RAMOS,J.QUIROGA,A.SANCHEZ,M.NOGUERAS,N.HANOLD,H .MEIER
Literature Reference Citation J.HETCYCL.CHEM.,31,61(1994)
Literature Reference DOI 10.1002/jhet.5570310111
Molecular Weight 405.413 g/mol
Solvent DMSO-D6
Source File Reference UWCS16674