| SpectraBase Compound ID | 1yu8iGPFrZk |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-4-6-8-9-10-11-12-13-14-15-16-22(3)27-25(26)24-20-18-23(19-21-24)17-7-5-2/h18-22H,4-17H2,1-3H3 |
| InChIKey | YXXXDZMLZBSGFQ-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 | C96YKn4dxkX |
|---|---|
| Name | 4-Butylbenzoic acid, 2-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/c1-4-6-8-9-10-11-12-13-14-15-16-22(3)27-25(26)24-20-18-23(19-21-24)17-7-5-2/h18-22H,4-17H2,1-3H3 |
| InChIKey | YXXXDZMLZBSGFQ-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCCCCCCCCCCC)C)=O)CCCC |