| SpectraBase Compound ID | Lbuf6Em6SAc |
|---|---|
| InChI | InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27(28)29-26-24-6-4-2/h3-26H2,1-2H3 |
| InChIKey | UPGXFTXMGCZBRA-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C27H54O2 |
| Exact Mass | 410.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdJCgpnQdzd |
|---|---|
| Name | Docosanoic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.412380977 u |
| Formula | C27H54O2 |
| InChI | InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27(28)29-26-24-6-4-2/h3-26H2,1-2H3 |
| InChIKey | UPGXFTXMGCZBRA-UHFFFAOYSA-N |
| Molecular Weight | 410.727 g/mol |
| SMILES | C(CCC(OCCCCC)=O)CCCCCCCCCCCCCCCCCC |