| SpectraBase Compound ID | H6AcqC11Reb |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-24-22(23)19-18-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | IXZJNEXKECGNFM-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 | 8EZsJ0nawXy |
|---|---|
| Name | Benzenepropanoic acid, 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/c1-2-3-4-5-6-7-8-9-10-11-15-20-24-22(23)19-18-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | IXZJNEXKECGNFM-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=CC(CCC(OCCCCCCCCCCCCC)=O)=CC=C1 |