[2.2.0.2.2.0]Paracyclophanetetraene

SpectraBase Compound ID	HjYfsXEUspM
InChI	InChI=1S/C44H32/c1-2-34-4-3-33(1)9-13-37-17-25-41(26-18-37)43-29-21-39(22-30-43)15-11-35-5-7-36(8-6-35)12-16-40-23-31-44(32-24-40)42-27-19-38(14-10-34)20-28-42/h1-32H/b13-9-,14-10+,15-11-,16-12+,33-9-,34-10+,35-11-,36-12+,37-13-,38-14-,39-15-,40-16-,43-41-,44-42-
InChIKey	XWXSTEKFAGVEJW-JMQPVMNYSA-N Google Search
Mol Weight	560.7 g/mol
Molecular Formula	C44H32
Exact Mass	560.250401 g/mol

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SpectraBase Spectrum ID	ICHjr6IYspf
Name	[2.2.0.2.2.0]Paracyclophanetetraene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H32
InChI	InChI=1S/C44H32/c1-2-34-4-3-33(1)9-13-37-17-25-41(26-18-37)43-29-21-39(22-30-43)15-11-35-5-7-36(8-6-35)12-16-40-23-31-44(32-24-40)42-27-19-38(14-10-34)20-28-42/h1-32H/b13-9-,14-10+,15-11-,16-12+,33-9-,34-10+,35-11-,36-12+,37-13-,38-14-,39-15-,40-16-,43-41-,44-42-
InChIKey	XWXSTEKFAGVEJW-JMQPVMNYSA-N
Molecular Weight	560.740 g/mol
SMILES	c12\C=C\c3ccc(\C=C/c4ccc(-c5ccc(\C=C/c6ccc(\C=C\c7ccc(-c(cc2)cc1)cc7)cc6)cc5)cc4)cc3
SPLASH	splash10-03di-0010090000-7b198afde2fdb43711ec
Source of Spectrum	SB-31-140-0
Synonyms	heptacyclo[28.2.2.2(2,5).2(8,11).2(14,17).2(18,21).2(24,27)]tetratetraconta-1(32),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,33,35,37,39,41,43-docosaene
Wiley ID	1406814