Ethylenebis(p-phenylene)bis[di-4-biphenylmethanol]

SpectraBase Compound ID	2RInPrttpi1
InChI	InChI=1S/C64H50O2/c65-63(59-39-27-53(28-40-59)49-13-5-1-6-14-49,60-41-29-54(30-42-60)50-15-7-2-8-16-50)57-35-23-47(24-36-57)21-22-48-25-37-58(38-26-48)64(66,61-43-31-55(32-44-61)51-17-9-3-10-18-51)62-45-33-56(34-46-62)52-19-11-4-12-20-52/h1-20,23-46,65-66H,21-22H2
InChIKey	QKVJEOQNQCAHQU-UHFFFAOYSA-N Google Search
Mol Weight	851.1 g/mol
Molecular Formula	C64H50O2
Exact Mass	850.381081 g/mol

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SpectraBase Spectrum ID	Dk8M7xQuzyJ
Name	Ethylenebis(p-phenylene)bis[di-4-biphenylmethanol]
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	850.381080848 u
Formula	C64H50O2
InChI	InChI=1S/C64H50O2/c65-63(59-39-27-53(28-40-59)49-13-5-1-6-14-49,60-41-29-54(30-42-60)50-15-7-2-8-16-50)57-35-23-47(24-36-57)21-22-48-25-37-58(38-26-48)64(66,61-43-31-55(32-44-61)51-17-9-3-10-18-51)62-45-33-56(34-46-62)52-19-11-4-12-20-52/h1-20,23-46,65-66H,21-22H2
InChIKey	QKVJEOQNQCAHQU-UHFFFAOYSA-N
Molecular Weight	851.102 g/mol
SMILES	OC(C=1C=CC(CCC=2C=CC(C(C=3C=CC(=CC3)C3=CC=CC=C3)(C=3C=CC(=CC3)C=3C=CC=CC3)O)=CC2)=CC1)(C=1C=CC(=CC1)C=1C=CC=CC1)C=1C=CC(=CC1)C=1C=CC=CC1