| SpectraBase Compound ID | EIP5ZH3RWUg |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-3-5-6-7-8-9-10-11-12-16-20-24(17-4-2)27-25(26)22-21-23-18-14-13-15-19-23/h13-15,18-19,24H,3-12,16-17,20-22H2,1-2H3 |
| InChIKey | QOGNNOHCVJFEEM-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 | 9yJCe5drmkM |
|---|---|
| Name | 3-Phenylpropanoic acid, 4-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/c1-3-5-6-7-8-9-10-11-12-16-20-24(17-4-2)27-25(26)22-21-23-18-14-13-15-19-23/h13-15,18-19,24H,3-12,16-17,20-22H2,1-2H3 |
| InChIKey | QOGNNOHCVJFEEM-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)CCC1=CC=CC=C1 |