| SpectraBase Compound ID | IhZlhlxmTIU |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-27(28)26-22-20-25(4-2)21-23-26/h20-23H,3-19,24H2,1-2H3 |
| InChIKey | INTMIYCHAIDNOI-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9T7DAxY4xcD |
|---|---|
| Name | 4-Ethylbenzoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-27(28)26-22-20-25(4-2)21-23-26/h20-23H,3-19,24H2,1-2H3 |
| InChIKey | INTMIYCHAIDNOI-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)C1=CC=C(CC)C=C1 |