| SpectraBase Compound ID | JqZD13OMFfv |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-13-18-24-21(23)17-16-20(22)19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3 |
| InChIKey | JRVCOCYSYOGYPV-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdEeK6xKv2M |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-13-18-24-21(23)17-16-20(22)19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3 |
| InChIKey | JRVCOCYSYOGYPV-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C(C(OCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O |