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

SpectraBase Compound ID	6GCV5AYFaZn
InChI	InChI=1S/C66H108O9/c1-5-9-13-17-21-25-29-33-41-70-61-39-37-57(53-63(61)72-43-35-31-27-23-19-15-11-7-3)59-55-65-66(75-52-50-69-48-46-67-45-47-68-49-51-74-65)56-60(59)58-38-40-62(71-42-34-30-26-22-18-14-10-6-2)64(54-58)73-44-36-32-28-24-20-16-12-8-4/h37-40,53-56H,5-36,41-52H2,1-4H3
InChIKey	DFVBJEORNJPARU-UHFFFAOYSA-N Google Search
Mol Weight	1045.6 g/mol
Molecular Formula	C66H108O9
Exact Mass	1044.799335 g/mol

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SpectraBase Spectrum ID	BbIdQ9gbpka
Name	4,5-Bis(3',4'-didecyloxyphenyl)benzo[15]crown-5
Alternate Name(s)	15,16-bis[3,4-bis(decyloxy)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C66H108O9
InChI	InChI=1S/C66H108O9/c1-5-9-13-17-21-25-29-33-41-70-61-39-37-57(53-63(61)72-43-35-31-27-23-19-15-11-7-3)59-55-65-66(75-52-50-69-48-46-67-45-47-68-49-51-74-65)56-60(59)58-38-40-62(71-42-34-30-26-22-18-14-10-6-2)64(54-58)73-44-36-32-28-24-20-16-12-8-4/h37-40,53-56H,5-36,41-52H2,1-4H3
InChIKey	DFVBJEORNJPARU-UHFFFAOYSA-N
Molecular Weight	1045.581 g/mol
SMILES	c1(c(cc2c(c1)OCCOCCOCCOCCO2)-c1cc(OCCCCCCCCCC)c(cc1)OCCCCCCCCCC)-c1cc(OCCCCCCCCCC)c(cc1)OCCCCCCCCCC
SPLASH	splash10-0002-9000000000-df2240b988311604e815
Source of Spectrum	QE-20-1033-5
Wiley ID	1586608