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

View entire compound with spectra: 1 NMR

9-BENZYL-5-ISOBUTYLAMINO-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
SpectraBase Compound ID EacWACZzOaG
InChI InChI=1S/C22H30N4O2/c1-15(2)13-23-19-16(3)11-12-26(14-17-9-7-6-8-10-17)20-18(19)21(27)25(5)22(28)24(20)4/h6-12,15-16,19,23H,13-14H2,1-5H3/t16?,19-/m1/s1
InChIKey DQLRBSMFFLOITF-LRTDYKAYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C22H30N4O2
Exact Mass 382.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37fzaA1TM8e
Name 9-BENZYL-5-ISOBUTYLAMINO-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
Compound Number 7B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H30N4O2/c1-15(2)13-23-19-16(3)11-12-26(14-17-9-7-6-8-10-17)20-18(19)21(27)25(5)22(28)24(20)4/h6-12,15-16,19,23H,13-14H2,1-5H3/t16?,19-/m1/s1
InChIKey DQLRBSMFFLOITF-LRTDYKAYSA-N
Literature Reference T.INAZUMI,E.HARADA,T.MIZUKOSHI,Y.KUROKI,A.KAKEHI,M.NOGUCHI J.CHEM.SOC.PERKIN-1,565(1994)
Solvent Chloroform-d