Monoalkene[20]annulene

SpectraBase Compound ID	ePwTCJRjne
InChI	InChI=1S/C32H14/c1-2-4-16-28-18-6-8-20-30(28)22-10-12-24-32-26-14-13-25-31(32)23-11-9-21-29-19-7-5-17-27(29)15-3-1/h1-2,5-8,13-14,17-20,25-26H/b2-1+
InChIKey	ZFDXWYQGIQOYPG-OWOJBTEDSA-N Google Search
Mol Weight	398.5 g/mol
Molecular Formula	C32H14
Exact Mass	398.10955 g/mol

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SpectraBase Spectrum ID	8L1fKJ5dKEx
Name	Monoalkene[20]annulene
Alternate Name(s)	5,6,7,8,13,14,15,16,21,22,25,26-dodecadehydrotribenzo[a,g,m]cycloicosene Cyclicy form of Tribenzo-bis(diacetyleno)-1,2-bis(acetyleno)ethane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H14
InChI	InChI=1S/C32H14/c1-2-4-16-28-18-6-8-20-30(28)22-10-12-24-32-26-14-13-25-31(32)23-11-9-21-29-19-7-5-17-27(29)15-3-1/h1-2,5-8,13-14,17-20,25-26H/b2-1+
InChIKey	ZFDXWYQGIQOYPG-OWOJBTEDSA-N
Molecular Weight	398.464 g/mol
SMILES	C#1C#Cc2c(C#C\C=C\C#Cc3c(C#CC#Cc4c(C1)cccc4)cccc3)cccc2
SPLASH	splash10-0002-0009000000-b4a7ceeae6af8910eb6e
Source of Spectrum	K1-2001-3489-5
Wiley ID	814368