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1,4-Dicyclooctatetraenyl-1,3-butadiyne

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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZXGwClnjmR
Name 1,4-Dicyclooctatetraenyl-1,3-butadiyne
Alternate Name(s) [4-(2,4,6,8-cyclooctatetraenyl)-1,3-butadiynyl]-1,3,5,7-cyclooctatetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 254.332 g/mol
SMILES C(C#C\C=1\C=C/C=C\C=C/C/1)#C\C1=C\C=C/C=C\C=C/1
SPLASH splash10-0udi-0490000000-8be5f9d71ffa3aca7e66
Source of Spectrum C-116-7596-24
Wiley ID 1258490