4,5-Bis(3',4'-dioctyloxyphenyl)benzo[15]crown-5

SpectraBase Compound ID	1qY8i8EXuc9
InChI	InChI=1S/C58H92O9/c1-5-9-13-17-21-25-33-62-53-31-29-49(45-55(53)64-35-27-23-19-15-11-7-3)51-47-57-58(67-44-42-61-40-38-59-37-39-60-41-43-66-57)48-52(51)50-30-32-54(63-34-26-22-18-14-10-6-2)56(46-50)65-36-28-24-20-16-12-8-4/h29-32,45-48H,5-28,33-44H2,1-4H3
InChIKey	RXJZNLDEPXKAPL-UHFFFAOYSA-N Google Search
Mol Weight	933.4 g/mol
Molecular Formula	C58H92O9
Exact Mass	932.674135 g/mol

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SpectraBase Spectrum ID	7prjNAQNbTH
Name	4,5-Bis(3',4'-dioctyloxyphenyl)benzo[15]crown-5
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C58H92O9
InChI	InChI=1S/C58H92O9/c1-5-9-13-17-21-25-33-62-53-31-29-49(45-55(53)64-35-27-23-19-15-11-7-3)51-47-57-58(67-44-42-61-40-38-59-37-39-60-41-43-66-57)48-52(51)50-30-32-54(63-34-26-22-18-14-10-6-2)56(46-50)65-36-28-24-20-16-12-8-4/h29-32,45-48H,5-28,33-44H2,1-4H3
InChIKey	RXJZNLDEPXKAPL-UHFFFAOYSA-N
Molecular Weight	933.365 g/mol
SMILES	c1(c(cc2c(c1)OCCOCCOCCOCCO2)-c1cc(OCCCCCCCC)c(cc1)OCCCCCCCC)-c1cc(OCCCCCCCC)c(cc1)OCCCCCCCC
SPLASH	splash10-001i-0000000009-241191bc4584644c7e0e
Source of Spectrum	QE-20-1033-5
Synonyms	15,16-bis[3,4-bis(octyloxy)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Wiley ID	1586610