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ETHYL-5-ANILINO-9-BENZYL-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4,6,9-HEXAHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-6-CARBOXYLATE;MAJOR-COMPOUND

View entire compound with spectra: 1 NMR

ETHYL-5-ANILINO-9-BENZYL-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4,6,9-HEXAHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-6-CARBOXYLATE;MAJOR-COMPOUND
SpectraBase Compound ID 1U1PHzkQsyL
InChI InChI=1S/C26H28N4O4/c1-4-34-25(32)20-15-16-30(17-18-11-7-5-8-12-18)23-21(24(31)29(3)26(33)28(23)2)22(20)27-19-13-9-6-10-14-19/h5-16,20,22,27H,4,17H2,1-3H3/t20?,22-/m1/s1
InChIKey PWVJDXIZZWMZME-LWMIZPGFSA-N
Mol Weight 460.53 g/mol
Molecular Formula C26H28N4O4
Exact Mass 460.211055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pbolggoeQy
Name ETHYL-5-ANILINO-9-BENZYL-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4,6,9-HEXAHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-6-CARBOXYLATE;MAJOR-COMPOUND
Compound Number 9A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H28N4O4/c1-4-34-25(32)20-15-16-30(17-18-11-7-5-8-12-18)23-21(24(31)29(3)26(33)28(23)2)22(20)27-19-13-9-6-10-14-19/h5-16,20,22,27H,4,17H2,1-3H3/t20?,22-/m1/s1
InChIKey PWVJDXIZZWMZME-LWMIZPGFSA-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