John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D15QxDSVEcX SpectraBase Spectrum ID=1kL2m4hwKYC

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9-BENZYL-5-BENZYLAMINO-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMID-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
SpectraBase Compound ID D15QxDSVEcX
InChI InChI=1S/C25H28N4O2/c1-18-14-15-29(17-20-12-8-5-9-13-20)23-21(24(30)28(3)25(31)27(23)2)22(18)26-16-19-10-6-4-7-11-19/h4-15,18,22,26H,16-17H2,1-3H3/t18?,22-/m1/s1
InChIKey WLUSUPBIJIDGAJ-LMNIDFBRSA-N
Mol Weight 416.53 g/mol
Molecular Formula C25H28N4O2
Exact Mass 416.221226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kL2m4hwKYC
Name 9-BENZYL-5-BENZYLAMINO-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMID-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND
Compound Number 10B
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InChI InChI=1S/C25H28N4O2/c1-18-14-15-29(17-20-12-8-5-9-13-20)23-21(24(30)28(3)25(31)27(23)2)22(18)26-16-19-10-6-4-7-11-19/h4-15,18,22,26H,16-17H2,1-3H3/t18?,22-/m1/s1
InChIKey WLUSUPBIJIDGAJ-LMNIDFBRSA-N
Literature Reference T.INAZUMI,K.YAMADA,Y.KUROKI,A.KAKEHI,M.NOGUCHI J.CHEM.SOC.PERKIN-1,557(1994)
Solvent Chloroform-d
SpectraBase Batch ID EqNfWZDgC78