| SpectraBase Compound ID | LVlSgxralzq |
|---|---|
| InChI | InChI=1S/C20H24O2/c1-4-5-6-16-7-9-18(10-8-16)20(21)22-19-13-11-17(12-14-19)15(2)3/h7-15H,4-6H2,1-3H3 |
| InChIKey | NDYFEHYSGWUZPG-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C20H24O2 |
| Exact Mass | 296.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXSLoOFFiSp |
|---|---|
| Name | 4-Butylbenzoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.177630011 u |
| Formula | C20H24O2 |
| InChI | InChI=1S/C20H24O2/c1-4-5-6-16-7-9-18(10-8-16)20(21)22-19-13-11-17(12-14-19)15(2)3/h7-15H,4-6H2,1-3H3 |
| InChIKey | NDYFEHYSGWUZPG-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC1=CC=C(C(C)C)C=C1)=O |