| SpectraBase Compound ID | FFUAk0hTLdr |
|---|---|
| InChI | InChI=1S/C20H24O3/c1-4-15(3)14-16-6-8-17(9-7-16)20(21)23-19-12-10-18(11-13-19)22-5-2/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | DVGJOQRFLIDIFW-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C20H24O3 |
| Exact Mass | 312.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bf0p6qjNwea |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-ethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.172544630 u |
| Formula | C20H24O3 |
| InChI | InChI=1S/C20H24O3/c1-4-15(3)14-16-6-8-17(9-7-16)20(21)23-19-12-10-18(11-13-19)22-5-2/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | DVGJOQRFLIDIFW-UHFFFAOYSA-N |
| Molecular Weight | 312.409 g/mol |
| SMILES | CCOC1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)CC(C)CC |