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9-BENZYL-5-ISOBUTYLAMINO-1,3-DIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE

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9-BENZYL-5-ISOBUTYLAMINO-1,3-DIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE
SpectraBase Compound ID Fo907sxDS84
InChI InChI=1S/C21H28N4O2/c1-15(2)13-22-17-11-8-12-25(14-16-9-6-5-7-10-16)19-18(17)20(26)24(4)21(27)23(19)3/h5-10,12,15,17,22H,11,13-14H2,1-4H3
InChIKey MCRRWPLSFUIHFR-UHFFFAOYSA-N
Mol Weight 368.48 g/mol
Molecular Formula C21H28N4O2
Exact Mass 368.221226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5POd0DxSYq8
Name 9-BENZYL-5-ISOBUTYLAMINO-1,3-DIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE
Compound Number 3B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H28N4O2/c1-15(2)13-22-17-11-8-12-25(14-16-9-6-5-7-10-16)19-18(17)20(26)24(4)21(27)23(19)3/h5-10,12,15,17,22H,11,13-14H2,1-4H3
InChIKey MCRRWPLSFUIHFR-UHFFFAOYSA-N
Literature Reference J.CHEM.SOC.PERKIN-1,565(1994) T.INAZUMI,E.HARADA,T.MIZUKOSHI,Y.KUROKI,A.KAKEHI,M.NOGUCHI
Solvent Chloroform-d