| SpectraBase Compound ID | BLSrhKczYUo |
|---|---|
| InChI | InChI=1S/C19H22O2/c1-4-5-6-16-8-10-17(11-9-16)19(20)21-18-12-7-14(2)15(3)13-18/h7-13H,4-6H2,1-3H3 |
| InChIKey | PMRFMZKKPGHWQM-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C19H22O2 |
| Exact Mass | 282.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlKTnKZ45AM |
|---|---|
| Name | 4-Butylbenzoic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.161979946 u |
| Formula | C19H22O2 |
| InChI | InChI=1S/C19H22O2/c1-4-5-6-16-8-10-17(11-9-16)19(20)21-18-12-7-14(2)15(3)13-18/h7-13H,4-6H2,1-3H3 |
| InChIKey | PMRFMZKKPGHWQM-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC=1C=CC(C)=C(C)C1)=O |