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1,2,4-TRIS-(6-AZULENYLETHYNYL)-5-IODOBENZENE
SpectraBase Compound ID Ko7QiHN74Nj
InChI InChI=1S/C84H95IO12/c1-7-13-19-25-49-92-79(86)72-57-73(80(87)93-50-26-20-14-8-2)67-44-35-60(34-43-66(67)72)31-40-63-55-65(42-33-62-38-47-70-71(48-39-62)77(84(91)97-54-30-24-18-12-6)59-76(70)83(90)96-53-29-23-17-11-5)78(85)56-64(63)41-32-61-36-45-68-69(46-37-61)75(82(89)95-52-28-22-16-10-4)58-74(68)81(88)94-51-27-21-15-9-3/h34-39,43-48,55-59H,7-30,49-54H2,1-6H3
InChIKey STIWSEBKTHXKIK-UHFFFAOYSA-N
Mol Weight 1423.6 g/mol
Molecular Formula C84H95IO12
Exact Mass 1422.586823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWU8TZfQVoL
Name 1,2,4-TRIS-(6-AZULENYLETHYNYL)-5-IODOBENZENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H95IO12
InChI InChI=1S/C84H95IO12/c1-7-13-19-25-49-92-79(86)72-57-73(80(87)93-50-26-20-14-8-2)67-44-35-60(34-43-66(67)72)31-40-63-55-65(42-33-62-38-47-70-71(48-39-62)77(84(91)97-54-30-24-18-12-6)59-76(70)83(90)96-53-29-23-17-11-5)78(85)56-64(63)41-32-61-36-45-68-69(46-37-61)75(82(89)95-52-28-22-16-10-4)58-74(68)81(88)94-51-27-21-15-9-3/h34-39,43-48,55-59H,7-30,49-54H2,1-6H3
InChIKey STIWSEBKTHXKIK-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,N.MORITA,K.OHTA,T.KITAMURA,K.IMAFUKU
Literature Reference Citation J.AM.CHEM.SOC.,125,1669(2003)
Literature Reference DOI 10.1021/ja0209262
Molecular Weight 1423.576 g/mol
Sample ID 40477
Solvent CDCl3