| SpectraBase Compound ID | F7yVNV8J7Fv |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-13-17-20(5-2)24-22(23)21-18-15-14-16-19(21)3/h14-16,18,20H,4-13,17H2,1-3H3 |
| InChIKey | RHUMEMFDCDUIAY-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 | 8xqXI6HDb1n |
|---|---|
| Name | o-Toluic acid, 3-tetradecyl 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/c1-4-6-7-8-9-10-11-12-13-17-20(5-2)24-22(23)21-18-15-14-16-19(21)3/h14-16,18,20H,4-13,17H2,1-3H3 |
| InChIKey | RHUMEMFDCDUIAY-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=CC=C(C(=C1)C)C(OC(CCCCCCCCCCC)CC)=O |