| SpectraBase Compound ID | 1f5LGcFcVy1 |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-25-22(24)18-17-21(23)20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3 |
| InChIKey | WKJVPKOOWRIVEY-UHFFFAOYSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZRh9YgNnEs |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-25-22(24)18-17-21(23)20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3 |
| InChIKey | WKJVPKOOWRIVEY-UHFFFAOYSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | C(C(OCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O |