| SpectraBase Compound ID | 2FZR53PA20H |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-3-5-8-15-11-13-17(14-12-15)19(20)21-18-10-7-6-9-16(18)4-2/h11-14,16,18H,3-10H2,1-2H3 |
| InChIKey | SFFSXPSQAIEEKM-UHFFFAOYSA-N |
| Mol Weight | 288.43 g/mol |
| Molecular Formula | C19H28O2 |
| Exact Mass | 288.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gcojf73E99I |
|---|---|
| Name | 4-N-Butylbenzoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.208930140 u |
| Formula | C19H28O2 |
| InChI | InChI=1S/C19H28O2/c1-3-5-8-15-11-13-17(14-12-15)19(20)21-18-10-7-6-9-16(18)4-2/h11-14,16,18H,3-10H2,1-2H3 |
| InChIKey | SFFSXPSQAIEEKM-UHFFFAOYSA-N |
| SMILES | C1(OC(C2=CC=C(C=C2)CCCC)=O)C(CC)CCCC1 |