4,4'''-bis[(2-butyloctyl)oxy]-p-quaterphenyl

SpectraBase Compound ID	DA7DXtMXpA5
InChI	InChI=1S/C48H66O2/c1-5-9-13-15-19-39(17-11-7-3)37-49-47-33-29-45(30-34-47)43-25-21-41(22-26-43)42-23-27-44(28-24-42)46-31-35-48(36-32-46)50-38-40(18-12-8-4)20-16-14-10-6-2/h21-36,39-40H,5-20,37-38H2,1-4H3
InChIKey	JMLYWQXLJYRYHL-UHFFFAOYSA-N Google Search
Mol Weight	675.1 g/mol
Molecular Formula	C48H66O2
Exact Mass	674.506281 g/mol

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SpectraBase Spectrum ID	AQHq53mHWOs
Name	4,4'''-bis[(2-butyloctyl)oxy]-p-quaterphenyl
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	674.506281363 u
Formula	C48H66O2
InChI	InChI=1S/C48H66O2/c1-5-9-13-15-19-39(17-11-7-3)37-49-47-33-29-45(30-34-47)43-25-21-41(22-26-43)42-23-27-44(28-24-42)46-31-35-48(36-32-46)50-38-40(18-12-8-4)20-16-14-10-6-2/h21-36,39-40H,5-20,37-38H2,1-4H3
InChIKey	JMLYWQXLJYRYHL-UHFFFAOYSA-N
Molecular Weight	675.054 g/mol
SMILES	C=1C(=CC=C(C1)C=1C=CC(=CC1)OCC(CCCCCC)CCCC)C=1C=CC(=CC1)C=1C=CC(=CC1)OCC(CCCCCC)CCCC