| SpectraBase Compound ID | 3CAdqDGmWca |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-27-25(26)24-20-18-23(19-21-24)17-6-4-2/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | KTDIJHFLBJNYQD-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 | F1zplyYWYKk |
|---|---|
| Name | 4-Butylbenzoic acid, tetradecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-27-25(26)24-20-18-23(19-21-24)17-6-4-2/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | KTDIJHFLBJNYQD-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCC)C1=CC=C(CCCC)C=C1 |