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3,4-BIS-DODECYLOXYBENZOICESTER-PE-[G1]-(OH)(4)
SpectraBase Compound ID IVHFEtE7TwB
InChI InChI=1S/C77H132O16/c1-7-11-15-19-23-27-31-35-39-43-51-86-67-49-47-65(55-69(67)88-53-45-41-37-33-29-25-21-17-13-9-3)71(82)90-61-77(63-92-73(84)75(5,57-78)58-79,64-93-74(85)76(6,59-80)60-81)62-91-72(83)66-48-50-68(87-52-44-40-36-32-28-24-20-16-12-8-2)70(56-66)89-54-46-42-38-34-30-26-22-18-14-10-4/h47-50,55-56,78-81H,7-46,51-54,57-64H2,1-6H3
InChIKey UWJLOZSHZMZPKS-UHFFFAOYSA-N
Mol Weight 1313.9 g/mol
Molecular Formula C77H132O16
Exact Mass 1312.951538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iwn0Ql4A9bg
Name 3,4-BIS-DODECYLOXYBENZOICESTER-PE-[G1]-(OH)(4)
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C77H132O16
InChI InChI=1S/C77H132O16/c1-7-11-15-19-23-27-31-35-39-43-51-86-67-49-47-65(55-69(67)88-53-45-41-37-33-29-25-21-17-13-9-3)71(82)90-61-77(63-92-73(84)75(5,57-78)58-79,64-93-74(85)76(6,59-80)60-81)62-91-72(83)66-48-50-68(87-52-44-40-36-32-28-24-20-16-12-8-2)70(56-66)89-54-46-42-38-34-30-26-22-18-14-10-4/h47-50,55-56,78-81H,7-46,51-54,57-64H2,1-6H3
InChIKey UWJLOZSHZMZPKS-UHFFFAOYSA-N
Literature Reference Author J.ROPPONEN,S.NUMMELIN,K.RISSANEN
Literature Reference Citation ORG.LETTERS,6,2495(2004)
Literature Reference DOI 10.1021/ol049555f
Molecular Weight 1313.885 g/mol
Sample ID 38917
Solvent CDCl3