3,3',4,4'-tetrakis[(3'',7''-Dimethyloctyl)oxy]-1,1'-biphenyl

SpectraBase Compound ID	DmaRzwKNIR
InChI	InChI=1S/C52H90O4/c1-39(2)17-13-21-43(9)29-33-53-49-27-25-47(37-51(49)55-35-31-45(11)23-15-19-41(5)6)48-26-28-50(54-34-30-44(10)22-14-18-40(3)4)52(38-48)56-36-32-46(12)24-16-20-42(7)8/h25-28,37-46H,13-24,29-36H2,1-12H3
InChIKey	JHEJYMJDLWFHMW-UHFFFAOYSA-N Google Search
Mol Weight	779.3 g/mol
Molecular Formula	C52H90O4
Exact Mass	778.683911 g/mol

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SpectraBase Spectrum ID	E9ZW1SnBTc6
Name	3,3',4,4'-tetrakis[(3'',7''-Dimethyloctyl)oxy]-1,1'-biphenyl
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H90O4
InChI	InChI=1S/C52H90O4/c1-39(2)17-13-21-43(9)29-33-53-49-27-25-47(37-51(49)55-35-31-45(11)23-15-19-41(5)6)48-26-28-50(54-34-30-44(10)22-14-18-40(3)4)52(38-48)56-36-32-46(12)24-16-20-42(7)8/h25-28,37-46H,13-24,29-36H2,1-12H3
InChIKey	JHEJYMJDLWFHMW-UHFFFAOYSA-N
Molecular Weight	779.288 g/mol
SMILES	c1(-c2cc(OCCC(CCCC(C)C)C)c(cc2)OCCC(CCCC(C)C)C)cc(OCCC(CCCC(C)C)C)c(cc1)OCCC(CCCC(C)C)C
SPLASH	splash10-004i-0000000900-5163d28d37bdf783c871
Source of Spectrum	H-84-1195-6
Synonyms	3,3',4,4'-tetrakis[(3,7-dimethyloctyl)oxy]-1,1'-biphenyl
Wiley ID	847571