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1,4-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE

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1,4-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE
SpectraBase Compound ID IKVPhnFYblT
InChI InChI=1S/C26H18/c1-3-7-11-23(12-8-4-1)15-17-25-19-21-26(22-20-25)18-16-24-13-9-5-2-6-10-14-24/h1-14,19-22H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,11-7-,12-8-,13-9-,14-10-,23-11+,23-12+,24-13+,24-14+
InChIKey NBIIJUPQRJSISW-SLWGUMAPSA-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 8lT7CQXnA2I
Name 1,4-DI-(CYCLOOCTATETRAENYLETHYNYL)-BENZENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18
InChI InChI=1S/C26H18/c1-3-7-11-23(12-8-4-1)15-17-25-19-21-26(22-20-25)18-16-24-13-9-5-2-6-10-14-24/h1-14,19-22H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,11-7-,12-8-,13-9-,14-10-,23-11+,23-12+,24-13+,24-14+
InChIKey NBIIJUPQRJSISW-SLWGUMAPSA-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 UWSI808