| SpectraBase Compound ID | 4yXQBM03eyq |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-25(26)22-21-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3 |
| InChIKey | JRKVHXZQAKVKLJ-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4W0QtvMCK1T |
|---|---|
| Name | Benzenepropanoic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-25(26)22-21-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3 |
| InChIKey | JRKVHXZQAKVKLJ-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OCCCCCCCCCCCCCCCC)=O |