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7-Bromo-10-oxo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(4,9)]nonadeca-2(11),3,5,7-tetraene
SpectraBase Compound ID IWFtJJK9f46
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-16-12-6-9-3-10(7-12)5-11(4-9)15(16)17(21)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10-,11-,12-/m0/s1
InChIKey FURALEUPOYCPOG-BJDJZHNGSA-N
Mol Weight 345.24 g/mol
Molecular Formula C17H17BrN2O
Exact Mass 344.052426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPSOVE59UcA
Name 7-BROMO-10-OXO-3,9-DIAZAPENTACYCLO-[12.3.1.1(12,16).0(2,11).0(4,9)]-NONADECA-2(11),3,5,7-TETRAENE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17BrN2O
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-16-12-6-9-3-10(7-12)5-11(4-9)15(16)17(21)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10-,11-,12-/m0/s1
InChIKey FURALEUPOYCPOG-BJDJZHNGSA-N
Literature Reference Author Z.CS.GYARMATI,P.CSOMOS,G.BERNATH,P.VALTAMO,H.KIVELAE,G.ARGAY ,A.KALMAN,K.D.KLIKA,
Literature Reference Citation J.HETCYCL.CHEM.,41,187(2004)
Literature Reference DOI 10.1002/jhet.5570410208
Molecular Weight 345.239 g/mol
Solvent CDCl3
Source File Reference UWLU22181