3,5-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOIC-ACID

SpectraBase Compound ID	FozN0U6hswn
InChI	InChI=1S/C97H138O12/c1-5-9-13-17-21-25-29-33-37-41-65-100-87-55-45-80(46-56-87)74-106-93-63-53-84(69-95(93)108-76-82-49-59-89(60-50-82)102-67-43-39-35-31-27-23-19-15-11-7-3)78-104-91-71-86(97(98)99)72-92(73-91)105-79-85-54-64-94(107-75-81-47-57-88(58-48-81)101-66-42-38-34-30-26-22-18-14-10-6-2)96(70-85)109-77-83-51-61-90(62-52-83)103-68-44-40-36-32-28-24-20-16-12-8-4/h45-64,69-73H,5-44,65-68,74-79H2,1-4H3,(H,98,99)
InChIKey	AMMMTTWUZWLLDV-UHFFFAOYSA-N Google Search
Mol Weight	1496.2 g/mol
Molecular Formula	C97H138O12
Exact Mass	1495.01883 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	K9q3EJBKNJk
Name	3,5-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOIC-ACID
Compound Number	25
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C97H138O12
InChI	InChI=1S/C97H138O12/c1-5-9-13-17-21-25-29-33-37-41-65-100-87-55-45-80(46-56-87)74-106-93-63-53-84(69-95(93)108-76-82-49-59-89(60-50-82)102-67-43-39-35-31-27-23-19-15-11-7-3)78-104-91-71-86(97(98)99)72-92(73-91)105-79-85-54-64-94(107-75-81-47-57-88(58-48-81)101-66-42-38-34-30-26-22-18-14-10-6-2)96(70-85)109-77-83-51-61-90(62-52-83)103-68-44-40-36-32-28-24-20-16-12-8-4/h45-64,69-73H,5-44,65-68,74-79H2,1-4H3,(H,98,99)
InChIKey	AMMMTTWUZWLLDV-UHFFFAOYSA-N
Literature Reference Author	V.PERCEC,W.D.CHO,G.UNGAR,D.J.P.YEARDLEY
Literature Reference Citation	J.AM.CHEM.SOC.,123,1302(2001)
Literature Reference DOI	10.1021/ja0037771
Molecular Weight	1496.156 g/mol
Solvent	CDCl3
Source File Reference	UWSI23529