| SpectraBase Compound ID | EYt5qcOuLPX |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-4-7-10-11-12-13-14-17-24(16-9-6-3)27-25(26)23-20-18-22(19-21-23)15-8-5-2/h18-21,24H,4-17H2,1-3H3 |
| InChIKey | NZQJHZZZCNZSPI-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 | E02itoy9i0g |
|---|---|
| Name | 4-Butylbenzoic acid, 5-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/c1-4-7-10-11-12-13-14-17-24(16-9-6-3)27-25(26)23-20-18-22(19-21-23)15-8-5-2/h18-21,24H,4-17H2,1-3H3 |
| InChIKey | NZQJHZZZCNZSPI-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC(CCCCCCCCC)CCCC)=O)CCCC |