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3,4,5-TRIS-(HEXADECYLOXY)-BENZOIC-ACID-ETHYLESTER

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3,4,5-TRIS-(HEXADECYLOXY)-BENZOIC-ACID-ETHYLESTER
SpectraBase Compound ID Gu262iRJr3z
InChI InChI=1S/C57H106O5/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-60-54-51-53(57(58)59-8-4)52-55(61-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56(54)62-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h51-52H,5-50H2,1-4H3
InChIKey JFEMGVPDHJTHGW-UHFFFAOYSA-N
Mol Weight 871.5 g/mol
Molecular Formula C57H106O5
Exact Mass 870.804027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sZZ1gN4LmZ
Name 3,4,5-TRIS-(HEXADECYLOXY)-BENZOIC-ACID-ETHYLESTER
CAS Registry Number 138432-99-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H106O5
InChI InChI=1S/C57H106O5/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-60-54-51-53(57(58)59-8-4)52-55(61-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56(54)62-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h51-52H,5-50H2,1-4H3
InChIKey JFEMGVPDHJTHGW-UHFFFAOYSA-N
Literature Reference Author F.KOSTEYN,G.ZERBAN,H.MEIER
Literature Reference Citation CHEM.BER.,125,893(1992)
Literature Reference DOI 10.1002/cber.19921250421
Molecular Weight 871.466 g/mol
Solvent CDCl3
Source File Reference UWCS7822