| SpectraBase Compound ID | DBiXpP9LEY1 |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3 |
| InChIKey | FYOGVGKALAEVBF-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUS4Pwrvyt9 |
|---|---|
| Name | Docosanoic acid, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.381080848 u |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3 |
| InChIKey | FYOGVGKALAEVBF-UHFFFAOYSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCC1=CC=CC=C1 |