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11-[(PARA-BROMO)-PHENYL]-8-CHLORO-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-1-ONE
SpectraBase Compound ID KZfhVJJYzK
InChI InChI=1S/C21H20BrClN2O/c1-21(2)10-17-19(18(26)11-21)20(12-3-5-13(22)6-4-12)25-16-9-14(23)7-8-15(16)24-17/h3-9,20,24-25H,10-11H2,1-2H3
InChIKey URGQKVYCKYWJJN-UHFFFAOYSA-N
Mol Weight 431.76 g/mol
Molecular Formula C21H20BrClN2O
Exact Mass 430.044754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SKNCqFnb3U
Name 11-[(PARA-BROMO)-PHENYL]-8-CHLORO-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-1-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20BrClN2O
InChI InChI=1S/C21H20BrClN2O/c1-21(2)10-17-19(18(26)11-21)20(12-3-5-13(22)6-4-12)25-16-9-14(23)7-8-15(16)24-17/h3-9,20,24-25H,10-11H2,1-2H3
InChIKey URGQKVYCKYWJJN-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,M.A.BANOS,O.G.M.D.CORTES
Literature Reference Citation J.HETCYCL.CHEM.,41,277(2004)
Literature Reference DOI 10.1002/jhet.5570410221
Molecular Weight 431.760 g/mol
Solvent CDCl3
Source File Reference UWLU22241