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5-[4-(3-BROMOPROPOXY)-PHENYL]-2-OCTYLPYRIMIDINE
SpectraBase Compound ID E2QN1wnCoby
InChI InChI=1S/C21H29BrN2O/c1-2-3-4-5-6-7-9-21-23-16-19(17-24-21)18-10-12-20(13-11-18)25-15-8-14-22/h10-13,16-17H,2-9,14-15H2,1H3
InChIKey CXXBUZAGMKDWPF-UHFFFAOYSA-N
Mol Weight 405.38 g/mol
Molecular Formula C21H29BrN2O
Exact Mass 404.146327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZjXQwJavPI
Name 5-[4-(3-BROMOPROPOXY)-PHENYL]-2-OCTYLPYRIMIDINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrN2O
InChI InChI=1S/C21H29BrN2O/c1-2-3-4-5-6-7-9-21-23-16-19(17-24-21)18-10-12-20(13-11-18)25-15-8-14-22/h10-13,16-17H,2-9,14-15H2,1H3
InChIKey CXXBUZAGMKDWPF-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 405.378 g/mol
Solvent CDCl3
Source File Reference UWBT10428