| SpectraBase Compound ID | Ko183pONAGc |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-19-24-22(23)21-17-15-20(14-4-2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | RWJAEWLXWYZUAT-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 | IP1GTvRl135 |
|---|---|
| Name | Benzoic acid, 4-propyl-, dodecyl 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/c1-3-5-6-7-8-9-10-11-12-13-19-24-22(23)21-17-15-20(14-4-2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | RWJAEWLXWYZUAT-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C(OCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |