4,4'-Bis{4-[4-(octyloxy)phenoxy]butoxyi}-[1,1']-biisoquinolinyl

SpectraBase Compound ID	3ZFTuqNQY5W
InChI	InChI=1S/C54H68N2O6/c1-3-5-7-9-11-17-35-57-43-27-31-45(32-28-43)59-37-19-21-39-61-51-41-55-53(49-25-15-13-23-47(49)51)54-50-26-16-14-24-48(50)52(42-56-54)62-40-22-20-38-60-46-33-29-44(30-34-46)58-36-18-12-10-8-6-4-2/h13-16,23-34,41-42H,3-12,17-22,35-40H2,1-2H3
InChIKey	AAVGPYCHFCUWIT-UHFFFAOYSA-N Google Search
Mol Weight	841.1 g/mol
Molecular Formula	C54H68N2O6
Exact Mass	840.507738 g/mol

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SpectraBase Spectrum ID	aOi92b7Ca
Name	4,4'-Bis{4-[4-(octyloxy)phenoxy]butoxyi}-[1,1']-biisoquinolinyl
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C54H68N2O6
InChI	InChI=1S/C54H68N2O6/c1-3-5-7-9-11-17-35-57-43-27-31-45(32-28-43)59-37-19-21-39-61-51-41-55-53(49-25-15-13-23-47(49)51)54-50-26-16-14-24-48(50)52(42-56-54)62-40-22-20-38-60-46-33-29-44(30-34-46)58-36-18-12-10-8-6-4-2/h13-16,23-34,41-42H,3-12,17-22,35-40H2,1-2H3
InChIKey	AAVGPYCHFCUWIT-UHFFFAOYSA-N
Molecular Weight	841.146 g/mol
SMILES	c1(-c2ncc(OCCCCOc3ccc(OCCCCCCCC)cc3)c3c2cccc3)ncc(OCCCCOc2ccc(OCCCCCCCC)cc2)c2c1cccc2
SPLASH	splash10-01vo-1930000600-d9ee8bb1e331b6b42c02
Source of Spectrum	F4-40-2558-22b
Wiley ID	1670839