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5-BROMO-10-OXO-3,9-DIAZAPENTACYCLO-[12.3.1.1(12,16).0(2,11).0(3,8)]-NONADECA-2(11),4,6,8-TETRAENE
SpectraBase Compound ID I3j75SrtAkP
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-17(21)15-11-4-9-3-10(5-11)7-12(6-9)16(15)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey BWSSEJXCGGMCFC-BKUVIOGVSA-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 2NQuQLRXg4m
Name 5-BROMO-10-OXO-3,9-DIAZAPENTACYCLO-[12.3.1.1(12,16).0(2,11).0(3,8)]-NONADECA-2(11),4,6,8-TETRAENE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17BrN2O
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-17(21)15-11-4-9-3-10(5-11)7-12(6-9)16(15)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey BWSSEJXCGGMCFC-BKUVIOGVSA-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 UWLU22197