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6-AMINO-4(4-METHYLPHENYL)-2-PHENYL-2,3-DIHYDRO-(1H)-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPINE
SpectraBase Compound ID 9krWFR5x6uQ
InChI InChI=1S/C20H19N5/c1-13-7-9-15(10-8-13)16-11-17(14-5-3-2-4-6-14)25-20-18(24-16)19(21)22-12-23-20/h2-10,12,17H,11H2,1H3,(H3,21,22,23,25)
InChIKey OKZFURXHIRFYAY-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C20H19N5
Exact Mass 329.164046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gxj8pSBvKmr
Name 6-AMINO-4(4-METHYLPHENYL)-2-PHENYL-2,3-DIHYDRO-(1H)-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPINE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19N5
InChI InChI=1S/C20H19N5/c1-13-7-9-15(10-8-13)16-11-17(14-5-3-2-4-6-14)25-20-18(24-16)19(21)22-12-23-20/h2-10,12,17H,11H2,1H3,(H3,21,22,23,25)
InChIKey OKZFURXHIRFYAY-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,A.PEREZ,J.VALENCIA,J.QUIROGA
Literature Reference Citation J.HETCYCL.CHEM.,34,1555(1997)
Literature Reference DOI 10.1002/jhet.5570340528
Molecular Weight 329.404 g/mol
Solvent DMSO-D6
Source File Reference UWSW560