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1,3-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE

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1,3-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE
SpectraBase Compound ID HZkLyLcrON8
InChI InChI=1S/C26H18/c1-3-7-12-23(13-8-4-1)18-20-25-16-11-17-26(22-25)21-19-24-14-9-5-2-6-10-15-24/h1-17,22H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,12-7-,13-8-,14-9-,15-10-,23-12+,23-13+,24-14+,24-15+
InChIKey ODNWOYRXGLSOHU-HEXCVFANSA-N
Mol Weight 330.43 g/mol
Molecular Formula C26H18
Exact Mass 330.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdHnnan0eOK
Name 1,3-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18
InChI InChI=1S/C26H18/c1-3-7-12-23(13-8-4-1)18-20-25-16-11-17-26(22-25)21-19-24-14-9-5-2-6-10-15-24/h1-17,22H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,12-7-,13-8-,14-9-,15-10-,23-12+,23-13+,24-14+,24-15+
InChIKey ODNWOYRXGLSOHU-HEXCVFANSA-N
Literature Reference Author P.BOMAN,B.ELIASSON,R.A.GRIMM,G.S.MARTIN,J.T.STRNAD,S.W.STALE Y
Literature Reference Citation J.AM.CHEM.SOC.,121,1558(1999)
Literature Reference DOI 10.1021/ja9831251
Molecular Weight 330.429 g/mol
Solvent THF-D8
Source File Reference UWSI809