For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4-Dicyclooctatetraenyl-1,3-butadiyne

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-Dicyclooctatetraenyl-1,3-butadiyne
SpectraBase Compound ID 775QNNAYidi
InChI InChI=1S/C20H14/c1-3-7-13-19(14-8-4-1)17-11-12-18-20-15-9-5-2-6-10-16-20/h1-10,13-16H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,13-7-,14-8-,15-9-,16-10-,19-13+,19-14+,20-15+,20-16+
InChIKey ZHSYAJUBNASCQJ-SXHZQHJVSA-N
Mol Weight 254.33 g/mol
Molecular Formula C20H14
Exact Mass 254.10955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4AQFWSoiIbj
Name 1,4-DICYCLOOCTATETRAENYL-1,3-BUTADIYNE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14
InChI InChI=1S/C20H14/c1-3-7-13-19(14-8-4-1)17-11-12-18-20-15-9-5-2-6-10-16-20/h1-10,13-16H/b3-1-,4-1-,5-2-,6-2-,7-3-,8-4-,9-5-,10-6-,13-7-,14-8-,15-9-,16-10-,19-13+,19-14+,20-15+,20-16+
InChIKey ZHSYAJUBNASCQJ-SXHZQHJVSA-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 254.331 g/mol
Solvent THF-D8
Source File Reference UWSI807