SpectraBase Compound ID | 5cXwT6ZUXVi |
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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-IUPFWZBJSA-N |
Mol Weight | 885.5 g/mol |
Molecular Formula | C57H104O6 |
Exact Mass | 884.783291 g/mol |
SpectraBase Spectrum ID | 3NVBLU8yFRH |
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Name | triolein |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. 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-IUPFWZBJSA-N |
Instrument Name | Varian A-60 |
Sadtler NMR Number | 8101M |
Solvent | CCl4 |