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

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5-ANILINO-9-BENZYL-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE-;MAJOR-COMPOUND
SpectraBase Compound ID H5uLxwcG89y
InChI InChI=1S/C24H26N4O2/c1-17-14-15-28(16-18-10-6-4-7-11-18)22-20(23(29)27(3)24(30)26(22)2)21(17)25-19-12-8-5-9-13-19/h4-15,17,21,25H,16H2,1-3H3/t17?,21-/m1/s1
InChIKey DTWBWROPAYCYRI-FBLFFUNLSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H26N4O2
Exact Mass 402.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fKTD4ucRyq
Name 5-ANILINO-9-BENZYL-1,3,6-TRIMETHYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE-;MAJOR-COMPOUND
Compound Number 7A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H26N4O2/c1-17-14-15-28(16-18-10-6-4-7-11-18)22-20(23(29)27(3)24(30)26(22)2)21(17)25-19-12-8-5-9-13-19/h4-15,17,21,25H,16H2,1-3H3/t17?,21-/m1/s1
InChIKey DTWBWROPAYCYRI-FBLFFUNLSA-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