SpectraBase Compound ID | ES3MRnLv8WZ |
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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 |
SpectraBase Spectrum ID | 42aLXQx2Xz4 |
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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 |