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2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-(4-METHYLPHENYL)-4-(4-NITROPHENYL)-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID 8nbwmNPxtd9
InChI InChI=1S/C22H21N5O4/c1-13-4-6-14(7-5-13)18-12-17(15-8-10-16(11-9-15)27(29)30)23-19-20(24-18)25-22(31-3)26(2)21(19)28/h4-11,18,24H,12H2,1-3H3
InChIKey AYKCBTULQLFKLX-UHFFFAOYSA-N
Mol Weight 419.44 g/mol
Molecular Formula C22H21N5O4
Exact Mass 419.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QXnKCk3yTM
Name 2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-(4-METHYLPHENYL)-4-(4-NITROPHENYL)-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21N5O4
InChI InChI=1S/C22H21N5O4/c1-13-4-6-14(7-5-13)18-12-17(15-8-10-16(11-9-15)27(29)30)23-19-20(24-18)25-22(31-3)26(2)21(19)28/h4-11,18,24H,12H2,1-3H3
InChIKey AYKCBTULQLFKLX-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 419.440 g/mol
Solvent CDCl3
Source File Reference UWCS16681