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triolein

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triolein
SpectraBase Compound ID Aq6N4xRKQMQ
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey PHYFQTYBJUILEZ-WUOFIQDXSA-N
Mol Weight 885.5 g/mol
Molecular Formula C57H104O6
Exact Mass 884.783291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ytMHFqwZ0u
Name TRIOLEIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H104O6
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey PHYFQTYBJUILEZ-WUOFIQDXSA-N
Literature Reference Author L.MANNINA,C.LUCHINAT,M.PATUMI,M.C.EMANUELE,E.ROSSI,A.SEGRE
Literature Reference Citation MAGN.RES.CHEM.,38,886(2000)
Literature Reference DOI 10.1002/1097-458x(200010)38:10<886::aid-mrc738>3.0.co;2-j
Molecular Weight 885.449 g/mol
Solvent CDCl3:TRIOLEIN=139:1
Source File Reference UWSI3533