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

SpectraBase Compound ID	DSq5A9yKTj4
InChI	InChI=1S/C46H68O9/c1-5-9-13-21-50-41-19-17-37(33-43(41)52-23-15-11-7-3)39-35-45-46(55-32-30-49-28-26-47-25-27-48-29-31-54-45)36-40(39)38-18-20-42(51-22-14-10-6-2)44(34-38)53-24-16-12-8-4/h17-20,33-36H,5-16,21-32H2,1-4H3
InChIKey	RSAHPAQLCQUBMX-UHFFFAOYSA-N Google Search
Mol Weight	765.0 g/mol
Molecular Formula	C46H68O9
Exact Mass	764.486334 g/mol

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SpectraBase Spectrum ID	KpqBHz7tPTK
Name	4,5-Bis(3',4'-dipentyloxyphenyl)benzo[15]crown-5
Alternate Name(s)	15,16-bis[3,4-bis(pentyloxy)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C46H68O9
InChI	InChI=1S/C46H68O9/c1-5-9-13-21-50-41-19-17-37(33-43(41)52-23-15-11-7-3)39-35-45-46(55-32-30-49-28-26-47-25-27-48-29-31-54-45)36-40(39)38-18-20-42(51-22-14-10-6-2)44(34-38)53-24-16-12-8-4/h17-20,33-36H,5-16,21-32H2,1-4H3
InChIKey	RSAHPAQLCQUBMX-UHFFFAOYSA-N
Molecular Weight	765.041 g/mol
SMILES	c1(c(cc2c(c1)OCCOCCOCCOCCO2)-c1cc(OCCCCC)c(cc1)OCCCCC)-c1cc(OCCCCC)c(cc1)OCCCCC
SPLASH	splash10-03di-0000000900-1d0ccaeaf1de4a8a21b7
Source of Spectrum	QE-20-1032-5
Wiley ID	1586613