John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C2YQIRt49s6 SpectraBase Spectrum ID=1ipdUYiwdDc

(accessed ).
9-BENZYL-5-ISOBUTYLAMINO-1,3-DIMETHYL-6-PHENYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
SpectraBase Compound ID C2YQIRt49s6
InChI InChI=1S/C27H32N4O2/c1-19(2)17-28-24-22(21-13-9-6-10-14-21)15-16-31(18-20-11-7-5-8-12-20)25-23(24)26(32)30(4)27(33)29(25)3/h5-16,19,22,24,28H,17-18H2,1-4H3/t22?,24-/m1/s1
InChIKey DZOVSAQGYXTDSO-SYIFMXBLSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H32N4O2
Exact Mass 444.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ipdUYiwdDc
Name 9-BENZYL-5-ISOBUTYLAMINO-1,3-DIMETHYL-6-PHENYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
Compound Number 8B
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H32N4O2/c1-19(2)17-28-24-22(21-13-9-6-10-14-21)15-16-31(18-20-11-7-5-8-12-20)25-23(24)26(32)30(4)27(33)29(25)3/h5-16,19,22,24,28H,17-18H2,1-4H3/t22?,24-/m1/s1
InChIKey DZOVSAQGYXTDSO-SYIFMXBLSA-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
SpectraBase Batch ID LSCyqapiTeM