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2',5'-Dihydroxyoctadecanophenone, dioctadecanoate

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2',5'-Dihydroxyoctadecanophenone, dioctadecanoate
SpectraBase Compound ID 3eBmxFSeN5d
InChI InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)56-54-55(64-59(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-53-58(56)65-60(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-54H,4-51H2,1-3H3
InChIKey RFNXFGIQNLUECQ-UHFFFAOYSA-N
Mol Weight 909.5 g/mol
Molecular Formula C60H108O5
Exact Mass 908.819677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9TggaTTfLo
Name 2',5'-Dihydroxyoctadecanophenone, dioctadecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 908.819676573 u
Formula C60H108O5
InChI InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)56-54-55(64-59(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-53-58(56)65-60(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-54H,4-51H2,1-3H3
InChIKey RFNXFGIQNLUECQ-UHFFFAOYSA-N
Molecular Weight 909.519 g/mol
SMILES C1=C(C(=CC(=C1)OC(=O)CCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O