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5-{4-[(6-Bromohexyl)oxy]phenyl}-2-octylpyrimidine
SpectraBase Compound ID 239TZKDLmnB
InChI InChI=1S/C24H35BrN2O/c1-2-3-4-5-6-9-12-24-26-19-22(20-27-24)21-13-15-23(16-14-21)28-18-11-8-7-10-17-25/h13-16,19-20H,2-12,17-18H2,1H3
InChIKey VEZMIYTUPJBCHM-UHFFFAOYSA-N
Mol Weight 447.5 g/mol
Molecular Formula C24H35BrN2O
Exact Mass 446.193277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GT5QBPwKjlU
Name 5-[4-(6-BROMOHEXYLOXY)-PHENYL]-2-OCTYLPYRIMIDINE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35BrN2O
InChI InChI=1S/C24H35BrN2O/c1-2-3-4-5-6-9-12-24-26-19-22(20-27-24)21-13-15-23(16-14-21)28-18-11-8-7-10-17-25/h13-16,19-20H,2-12,17-18H2,1H3
InChIKey VEZMIYTUPJBCHM-UHFFFAOYSA-N
Literature Reference Author G.F.STARKULLA,E.KAPATSINA,A.BARO,F.GIESSELMANN,S.TUSSETSCHLA EGER,M.KALLER
Literature Reference Citation BEIL.J.ORG.CHEM.,5,63,1(2009)
Molecular Weight 447.459 g/mol
Solvent CDCl3
Source File Reference UWBT10422