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2-AZA-4-BROMO-4-METHYL-5,7-DIPHENYL-8-THIATRICYCLO-[7.4.0.0(2,5)]-TRIDECA-DELTA(1,9),10,12-TRIEN-3-ONE
SpectraBase Compound ID IRNC78PpQKI
InChI InChI=1S/C24H20BrNOS/c1-23(25)22(27)26-19-14-8-9-15-20(19)28-21(17-10-4-2-5-11-17)16-24(23,26)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKey WNJOTSDVZIIIFS-UHFFFAOYSA-N
Mol Weight 450.39 g/mol
Molecular Formula C24H20BrNOS
Exact Mass 449.044898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FUaAlAZtsr
Name 2-AZA-4-BROMO-4-METHYL-5,7-DIPHENYL-8-THIATRICYCLO-[7.4.0.0(2,5)]-TRIDECA-DELTA(1,9),10,12-TRIEN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20BrNOS
InChI InChI=1S/C24H20BrNOS/c1-23(25)22(27)26-19-14-8-9-15-20(19)28-21(17-10-4-2-5-11-17)16-24(23,26)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKey WNJOTSDVZIIIFS-UHFFFAOYSA-N
Literature Reference Author A.SZOELLOESY,G.KOTOVYCH,G.TOTH,A.LEVAI
Literature Reference Citation CAN.J.CHEM.,66,279(1988)
Literature Reference DOI 10.1139/v88-047
Molecular Weight 450.393 g/mol
Solvent CDCl3
Source File Reference UWED3205