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5-(4-BROMOANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE

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5-(4-BROMOANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
SpectraBase Compound ID A4CCiVWq1rf
InChI InChI=1S/C21H20BrN3O3/c1-24-16-11-15-14(5-3-4-6-17(15)26)19(18(16)20(27)25(2)21(24)28)23-13-9-7-12(22)8-10-13/h3-10,14-15,19,23H,11H2,1-2H3/t14-,15-,19+/m1/s1
InChIKey NAZYPWURMYOIHA-CLCXKQKWSA-N
Mol Weight 442.31 g/mol
Molecular Formula C21H20BrN3O3
Exact Mass 441.068805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUaWJNewtpI
Name 5-(4-BROMOANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
Compound Number 6B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20BrN3O3/c1-24-16-11-15-14(5-3-4-6-17(15)26)19(18(16)20(27)25(2)21(24)28)23-13-9-7-12(22)8-10-13/h3-10,14-15,19,23H,11H2,1-2H3/t14-,15-,19+/m1/s1
InChIKey NAZYPWURMYOIHA-CLCXKQKWSA-N
Literature Reference K.IKUNO,T.KOBAYASHI,T.HARADA,M.NOGUCHI,A.KAKEHI J.CHEM.SOC.PERKIN-1,1445(1995)
Solvent Chloroform-d