| SpectraBase Compound ID | DvZ9alGmieM |
|---|---|
| InChI | InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-23(25)19-18-22(24)21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | OJVFWWBKOTVKAK-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C23H36O3 |
| Exact Mass | 360.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qhULZawH4w |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.266445016 u |
| Formula | C23H36O3 |
| InChI | InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-23(25)19-18-22(24)21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | OJVFWWBKOTVKAK-UHFFFAOYSA-N |
| Molecular Weight | 360.538 g/mol |
| SMILES | C(C(OCCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O |