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2-AZA-4-BROMO-4-ETHYL-5,7-DIPHENYL-8-THIATRICYCLO-[7.4.0.0(2,5)]-TRIDECA-DELTA(1,9),10,12-TRIEN-3-ONE
SpectraBase Compound ID 288NwOf2yT2
InChI InChI=1S/C25H22BrNOS/c1-2-24(26)23(28)27-20-15-9-10-16-21(20)29-22(18-11-5-3-6-12-18)17-25(24,27)19-13-7-4-8-14-19/h3-16,22H,2,17H2,1H3
InChIKey SILWNTQZPHDSJX-UHFFFAOYSA-N
Mol Weight 464.42 g/mol
Molecular Formula C25H22BrNOS
Exact Mass 463.060549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7StcaRLBoux
Name 2-AZA-4-BROMO-4-ETHYL-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 C25H22BrNOS
InChI InChI=1S/C25H22BrNOS/c1-2-24(26)23(28)27-20-15-9-10-16-21(20)29-22(18-11-5-3-6-12-18)17-25(24,27)19-13-7-4-8-14-19/h3-16,22H,2,17H2,1H3
InChIKey SILWNTQZPHDSJX-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 464.420 g/mol
Solvent CDCl3
Source File Reference UWED3206