| SpectraBase Compound ID | EhiW61RJyS |
|---|---|
| InChI | InChI=1S/C27H52O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-25-27(28)29-26(3)24-22-20-9-7-5-2/h14-15,26H,4-13,16-25H2,1-3H3/b15-14- |
| InChIKey | UIHJBBDLSHMOFO-PFONDFGASA-N |
| Mol Weight | 408.7 g/mol |
| Molecular Formula | C27H52O2 |
| Exact Mass | 408.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUVZ0WCRiTq |
|---|---|
| Name | 2-Nonanol oleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.396730912 u |
| Formula | C27H52O2 |
| InChI | InChI=1S/C27H52O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-25-27(28)29-26(3)24-22-20-9-7-5-2/h14-15,26H,4-13,16-25H2,1-3H3/b15-14- |
| InChIKey | UIHJBBDLSHMOFO-PFONDFGASA-N |
| Molecular Weight | 408.711 g/mol |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OC(CCCCCCC)C |