| SpectraBase Compound ID | INa4y2Cwws7 |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27-25(26)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 |
| InChIKey | DSHRLMJFPDCFRY-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 | DgXwpr33Jk2 |
|---|---|
| Name | Phenylacetic acid, heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27-25(26)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 |
| InChIKey | DSHRLMJFPDCFRY-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)CC1=CC=CC=C1 |