| SpectraBase Compound ID | 9FtNpulrMFZ |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-14-17-21(4-2)24-22(23)19-18-20-15-12-11-13-16-20/h11-13,15-16,21H,3-10,14,17-19H2,1-2H3 |
| InChIKey | KWOVQSOJVBKYMX-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGrGgMJvR1y |
|---|---|
| Name | Benzenepropionic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-14-17-21(4-2)24-22(23)19-18-20-15-12-11-13-16-20/h11-13,15-16,21H,3-10,14,17-19H2,1-2H3 |
| InChIKey | KWOVQSOJVBKYMX-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC(CCCCCCCCCC)CC)=O |