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(S)-1-O-(4,4'-DIMETHOXYTRITYL)-3-O-[4-(PYREN-1-YLETHYNYL)-PHENYLMETHYL]-GLYCEROL
SpectraBase Compound ID 7GqVu1HvtGD
InChI InChI=1S/C49H40O5/c1-51-44-26-22-41(23-27-44)49(40-9-4-3-5-10-40,42-24-28-45(52-2)29-25-42)54-33-43(50)32-53-31-35-13-11-34(12-14-35)15-16-36-17-18-39-20-19-37-7-6-8-38-21-30-46(36)48(39)47(37)38/h3-14,17-30,43,50H,31-33H2,1-2H3/t43-/m1/s1
InChIKey HUQXDAREEYMZRA-VZUYHUTRSA-N
Mol Weight 708.9 g/mol
Molecular Formula C49H40O5
Exact Mass 708.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPqZg7UityK
Name (S)-1-O-(4,4'-DIMETHOXYTRITYL)-3-O-[4-(PYREN-1-YLETHYNYL)-PHENYLMETHYL]-GLYCEROL
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H40O5
InChI InChI=1S/C49H40O5/c1-51-44-26-22-41(23-27-44)49(40-9-4-3-5-10-40,42-24-28-45(52-2)29-25-42)54-33-43(50)32-53-31-35-13-11-34(12-14-35)15-16-36-17-18-39-20-19-37-7-6-8-38-21-30-46(36)48(39)47(37)38/h3-14,17-30,43,50H,31-33H2,1-2H3/t43-/m1/s1
InChIKey HUQXDAREEYMZRA-VZUYHUTRSA-N
Literature Reference Author V.V.FILICHEV,H.GABER,T.R.OLSEN,P.T.JORGENSEN,C.H.JESSEN,E.B. PEDERSEN
Literature Reference Citation EUR.J.ORG.CHEM.,3960(2006)
Molecular Weight 708.854 g/mol
Sample ID 44673
Solvent CDCl3