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Nonahexacontanoic acid, 18-oxo-

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Nonahexacontanoic acid, 18-oxo-
SpectraBase Compound ID Gwwy8Y5TTHj
InChI InChI=1S/C69H136O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-47-50-53-56-59-62-65-68(70)66-63-60-57-54-51-48-45-46-49-52-55-58-61-64-67-69(71)72/h2-67H2,1H3,(H,71,72)
InChIKey ZRDJXJFKUGRBMG-UHFFFAOYSA-N
Mol Weight 1013.8 g/mol
Molecular Formula C69H136O3
Exact Mass 1013.048948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJ0kZAPA6ZS
Name Nonahexacontanoic acid, 18-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1013.048948236 u
Formula C69H136O3
InChI InChI=1S/C69H136O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-47-50-53-56-59-62-65-68(70)66-63-60-57-54-51-48-45-46-49-52-55-58-61-64-67-69(71)72/h2-67H2,1H3,(H,71,72)
InChIKey ZRDJXJFKUGRBMG-UHFFFAOYSA-N
Molecular Weight 1013.844 g/mol
SMILES C(=O)(O)CCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC