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6-[4-(4-Butoxyphenylazo)phenylethynyl]isoquinoline
SpectraBase Compound ID AMDUwxOSm06
InChI InChI=1S/C27H23N3O/c1-2-3-18-31-27-14-12-26(13-15-27)30-29-25-10-7-21(8-11-25)4-5-22-6-9-24-20-28-17-16-23(24)19-22/h6-17,19-20H,2-3,18H2,1H3/b30-29+
InChIKey OCOMSRQCDRMDJC-QVIHXGFCSA-N
Mol Weight 405.5 g/mol
Molecular Formula C27H23N3O
Exact Mass 405.184112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19gTByTS1jw
Name 6-[4-(4-BUTOXYPHENYLAZO)-PHENYLETHYNYL]-ISOQUINOLINE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3O
InChI InChI=1S/C27H23N3O/c1-2-3-18-31-27-14-12-26(13-15-27)30-29-25-10-7-21(8-11-25)4-5-22-6-9-24-20-28-17-16-23(24)19-22/h6-17,19-20H,2-3,18H2,1H3/b30-29+
InChIKey OCOMSRQCDRMDJC-QVIHXGFCSA-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 405.499 g/mol
Solvent CDCl3
Source File Reference UWRU12067