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[4-(2)-3,4,5-4-(2)]-12G1-CH2OH;4-[4'-[3'',4'',5''-TRIS-[4'''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHO
SpectraBase Compound ID f4mua3LCGy
InChI InChI=1S/C99H128O12/c1-4-7-10-13-16-19-22-25-28-31-66-101-89-52-36-81(37-53-89)72-105-93-60-44-85(45-61-93)76-109-97-69-88(79-108-96-58-42-84(43-59-96)75-104-92-50-34-80(71-100)35-51-92)70-98(110-77-86-46-62-94(63-47-86)106-73-82-38-54-90(55-39-82)102-67-32-29-26-23-20-17-14-11-8-5-2)99(97)111-78-87-48-64-95(65-49-87)107-74-83-40-56-91(57-41-83)103-68-33-30-27-24-21-18-15-12-9-6-3/h34-65,69-70,100H,4-33,66-68,71-79H2,1-3H3
InChIKey LUQJNGGVFYOEAE-UHFFFAOYSA-N
Mol Weight 1510.1 g/mol
Molecular Formula C99H128O12
Exact Mass 1508.94058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GL9ySiHe2fx
Name [4-(2)-3,4,5-4-(2)]-12G1-CH2OH;4-[4'-[3'',4'',5''-TRIS-[4'''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHO
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C99H128O12
InChI InChI=1S/C99H128O12/c1-4-7-10-13-16-19-22-25-28-31-66-101-89-52-36-81(37-53-89)72-105-93-60-44-85(45-61-93)76-109-97-69-88(79-108-96-58-42-84(43-59-96)75-104-92-50-34-80(71-100)35-51-92)70-98(110-77-86-46-62-94(63-47-86)106-73-82-38-54-90(55-39-82)102-67-32-29-26-23-20-17-14-11-8-5-2)99(97)111-78-87-48-64-95(65-49-87)107-74-83-40-56-91(57-41-83)103-68-33-30-27-24-21-18-15-12-9-6-3/h34-65,69-70,100H,4-33,66-68,71-79H2,1-3H3
InChIKey LUQJNGGVFYOEAE-UHFFFAOYSA-N
Literature Reference Author V.PERCEC,C.M.MITCHELL,W.D.CHO,S.UCHIDA,M.GLODDE,G.UNGAR,X.ZE NG,Y.LIU,V.S.K.BALAG
Literature Reference Citation J.AM.CHEM.SOC.,126,6078(2004)
Literature Reference DOI 10.1021/ja049846j
Molecular Weight 1510.098 g/mol
Sample ID 33201
Solvent CDCl3