4,4'-bis[3",4",5"-tris(Undecyloxy)phenyloxy]benzophenone

SpectraBase Compound ID	ECkPtoXelDw
InChI	InChI=1S/C91H150O9/c1-7-13-19-25-31-37-43-49-55-69-93-85-75-83(76-86(94-70-56-50-44-38-32-26-20-14-8-2)90(85)97-73-59-53-47-41-35-29-23-17-11-5)99-81-65-61-79(62-66-81)89(92)80-63-67-82(68-64-80)100-84-77-87(95-71-57-51-45-39-33-27-21-15-9-3)91(98-74-60-54-48-42-36-30-24-18-12-6)88(78-84)96-72-58-52-46-40-34-28-22-16-10-4/h61-68,75-78H,7-60,69-74H2,1-6H3
InChIKey	PSWUKTSMHRCSHE-UHFFFAOYSA-N Google Search
Mol Weight	1388.2 g/mol
Molecular Formula	C91H150O9
Exact Mass	1387.127986 g/mol

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SpectraBase Spectrum ID	IoMWwDYO8Ad
Name	4,4'-bis[3'',4'',5''-Tris(undecyloxy)phenyloxy]benzophenone
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1387.127986401 u
Formula	C91H150O9
InChI	InChI=1S/C91H150O9/c1-7-13-19-25-31-37-43-49-55-69-93-85-75-83(76-86(94-70-56-50-44-38-32-26-20-14-8-2)90(85)97-73-59-53-47-41-35-29-23-17-11-5)99-81-65-61-79(62-66-81)89(92)80-63-67-82(68-64-80)100-84-77-87(95-71-57-51-45-39-33-27-21-15-9-3)91(98-74-60-54-48-42-36-30-24-18-12-6)88(78-84)96-72-58-52-46-40-34-28-22-16-10-4/h61-68,75-78H,7-60,69-74H2,1-6H3
InChIKey	PSWUKTSMHRCSHE-UHFFFAOYSA-N
Molecular Weight	1388.192 g/mol
SMILES	C1(=C(C=C(OC2=CC=C(C(C=3C=CC(OC4=CC(OCCCCCCCCCCC)=C(C(=C4)OCCCCCCCCCCC)OCCCCCCCCCCC)=CC3)=O)C=C2)C=C1OCCCCCCCCCCC)OCCCCCCCCCCC)OCCCCCCCCCCC