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ETHYL-(5-BROMO-3-CYANO-4,6-DIMETHYL-2-SULFANYL-1,2-DIHYDROPYRIDIN-2-YL)-(TRIPHENYL-LAMBDA(5)-PHOSPHANYLIDENE)-ACETATE
SpectraBase Compound ID 5QAwodJ4Fpe
InChI InChI=1S/C30H28BrN2O2PS/c1-4-35-29(34)28(30(37)26(20-32)21(2)27(31)22(3)33-30)36(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,33,37H,4H2,1-3H3
InChIKey NIETXYGHOQZSNG-UHFFFAOYSA-N
Mol Weight 591.5 g/mol
Molecular Formula C30H28BrN2O2PS
Exact Mass 590.079249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK3GSkaPqt3
Name ETHYL-(5-BROMO-3-CYANO-4,6-DIMETHYL-2-SULFANYL-1,2-DIHYDROPYRIDIN-2-YL)-(TRIPHENYL-LAMBDA(5)-PHOSPHANYLIDENE)-ACETATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28BrN2O2PS
InChI InChI=1S/C30H28BrN2O2PS/c1-4-35-29(34)28(30(37)26(20-32)21(2)27(31)22(3)33-30)36(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,33,37H,4H2,1-3H3
InChIKey NIETXYGHOQZSNG-UHFFFAOYSA-N
Literature Reference Author H.A.ABDEL-MALEK,M.S.SALEM,L.S.BOULOS
Literature Reference Citation LIFE.SCI.J.,9,695(2012)
Molecular Weight 591.502 g/mol
Solvent CDCl3
Source File Reference UWBT13547