| SpectraBase Compound ID | 1C6HmPKlqjr |
|---|---|
| InChI | InChI=1S/C24H40O2/c1-4-6-7-8-9-10-11-12-13-14-16-23(15-5-2)26-24(25)22-19-17-21(3)18-20-22/h17-20,23H,4-16H2,1-3H3 |
| InChIKey | RPPXGVKKLNFUPZ-UHFFFAOYSA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C24H40O2 |
| Exact Mass | 360.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51XbQhE8xOr |
|---|---|
| Name | p-Toluic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.302830526 u |
| Formula | C24H40O2 |
| InChI | InChI=1S/C24H40O2/c1-4-6-7-8-9-10-11-12-13-14-16-23(15-5-2)26-24(25)22-19-17-21(3)18-20-22/h17-20,23H,4-16H2,1-3H3 |
| InChIKey | RPPXGVKKLNFUPZ-UHFFFAOYSA-N |
| Molecular Weight | 360.582 g/mol |
| SMILES | C(OC(CCCCCCCCCCCC)CCC)(=O)C=1C=CC(C)=CC1 |