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10-Oxoheptacosanoic acid
SpectraBase Compound ID ES3MRnLv8WZ
InChI InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(28)24-21-18-15-16-19-22-25-27(29)30/h2-25H2,1H3,(H,29,30)
InChIKey SKXHIGRWDRGOHL-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H52O3
Exact Mass 424.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42aLXQx2Xz4
Name 10-Oxoheptacosanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.391645531 u
Formula C27H52O3
InChI InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(28)24-21-18-15-16-19-22-25-27(29)30/h2-25H2,1H3,(H,29,30)
InChIKey SKXHIGRWDRGOHL-UHFFFAOYSA-N
Molecular Weight 424.710 g/mol
SMILES OC(CCCCCCCCC(=O)CCCCCCCCCCCCCCCCC)=O