| SpectraBase Compound ID | 1UfQ3WOAsdj |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3 |
| InChIKey | OCCJNJQOJXFKQO-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfPMt9sFYwt |
|---|---|
| Name | 2-Phenylethyl docosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3 |
| InChIKey | OCCJNJQOJXFKQO-UHFFFAOYSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCC1=CC=CC=C1 |