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Nonahexacontanoic acid, methyl ester

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Nonahexacontanoic acid, methyl ester
SpectraBase Compound ID 93yLtsrgmlY
InChI InChI=1S/C70H140O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70(71)72-2/h3-69H2,1-2H3
InChIKey WBCYUBACRBFRAF-UHFFFAOYSA-N
Mol Weight 1013.9 g/mol
Molecular Formula C70H140O2
Exact Mass 1013.085334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0PHKYDfdAk
Name Nonahexacontanoic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1013.085333746 u
Formula C70H140O2
InChI InChI=1S/C70H140O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70(71)72-2/h3-69H2,1-2H3
InChIKey WBCYUBACRBFRAF-UHFFFAOYSA-N
Molecular Weight 1013.888 g/mol
SMILES C(=O)(OC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC