Hexabutylhexahydrotribenzo[12]annulene

SpectraBase Compound ID	Ha7aqLOUzRg
InChI	InChI=1S/C48H60/c1-7-13-19-37-31-43-25-26-45-33-39(21-15-9-3)41(23-17-11-5)35-47(45)29-30-48-36-42(24-18-12-6)40(22-16-10-4)34-46(48)28-27-44(43)32-38(37)20-14-8-2/h31-36H,7-24H2,1-6H3
InChIKey	KHPADQORADGNGO-UHFFFAOYSA-N Google Search
Mol Weight	637.0 g/mol
Molecular Formula	C48H60
Exact Mass	636.469502 g/mol

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SpectraBase Spectrum ID	D2RWOpfmyhR
Name	Hexabutylhexahydrotribenzo[12]annulene
Alternate Name(s)	2,3,8,9,14,15-hexabutyl-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i]cyclododecene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H60
InChI	InChI=1S/C48H60/c1-7-13-19-37-31-43-25-26-45-33-39(21-15-9-3)41(23-17-11-5)35-47(45)29-30-48-36-42(24-18-12-6)40(22-16-10-4)34-46(48)28-27-44(43)32-38(37)20-14-8-2/h31-36H,7-24H2,1-6H3
InChIKey	KHPADQORADGNGO-UHFFFAOYSA-N
Molecular Weight	637.008 g/mol
SMILES	C1#Cc2c(C#Cc3c(C#Cc4c1cc(c(CCCC)c4)CCCC)cc(CCCC)c(c3)CCCC)cc(c(c2)CCCC)CCCC
SPLASH	splash10-000i-0000009000-ed8e3c280c52ea348b26
Source of Spectrum	CV-2004-1530-1
Wiley ID	1611558