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6-[4-(4-Butoxyphenyliminomethyl)phenylethynyl]isoquinoline

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6-[4-(4-Butoxyphenyliminomethyl)phenylethynyl]isoquinoline
SpectraBase Compound ID JreS7zQOfZs
InChI InChI=1S/C28H24N2O/c1-2-3-18-31-28-14-12-27(13-15-28)30-20-24-8-5-22(6-9-24)4-7-23-10-11-26-21-29-17-16-25(26)19-23/h5-6,8-17,19-21H,2-3,18H2,1H3/b30-20+
InChIKey KUNJJCIRRMDCNJ-TWKHWXDSSA-N
Mol Weight 404.51 g/mol
Molecular Formula C28H24N2O
Exact Mass 404.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Tli3won2Nr
Name 6-[4-(4-BUTOXYPHENYLIMINOMETHYL)-PHENYLETHYNYL]-ISOQUINOLINE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24N2O
InChI InChI=1S/C28H24N2O/c1-2-3-18-31-28-14-12-27(13-15-28)30-20-24-8-5-22(6-9-24)4-7-23-10-11-26-21-29-17-16-25(26)19-23/h5-6,8-17,19-21H,2-3,18H2,1H3/b30-20+
InChIKey KUNJJCIRRMDCNJ-TWKHWXDSSA-N
Literature Reference Author H.NERENZ,M.MEIER,W.GRAHN,A.REISNER,E.SCHMAELZLIN,S.STADLER,K .MEERHOLZ,C.BRAEUCHL
Literature Reference Citation J.CHEM.SOC.PERKIN-2,437(1998)
Literature Reference DOI 10.1039/a703325g
Molecular Weight 404.511 g/mol
Solvent CDCl3
Source File Reference UWRU12066