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8-(4-BROMOPHENYL)-2,3,4,7-TETRAHYDRO-1,3-DIMETHYL-6-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPINE-2,4-DIONE
SpectraBase Compound ID 6Mr7RcIRwoO
InChI InChI=1S/C21H17BrN4O2/c1-25-19-18(20(27)26(2)21(25)28)23-16(13-6-4-3-5-7-13)12-17(24-19)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3
InChIKey JGKQOBWSKINDRA-UHFFFAOYSA-N
Mol Weight 437.3 g/mol
Molecular Formula C21H17BrN4O2
Exact Mass 436.053489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VZGzdfWLJ9
Name 8-(4-BROMOPHENYL)-2,3,4,7-TETRAHYDRO-1,3-DIMETHYL-6-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPINE-2,4-DIONE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrN4O2
InChI InChI=1S/C21H17BrN4O2/c1-25-19-18(20(27)26(2)21(25)28)23-16(13-6-4-3-5-7-13)12-17(24-19)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3
InChIKey JGKQOBWSKINDRA-UHFFFAOYSA-N
Literature Reference Author N.N.KOLOS,S.A.KOMYKHOV,V.D.ORLOV
Literature Reference Citation J.HETCYCL.CHEM.,40,25(2003)
Literature Reference DOI 10.1002/jhet.5570400102
Molecular Weight 437.296 g/mol
Solvent DMSO-D6
Source File Reference UWMS22285