| SpectraBase Compound ID | 6AQrnOROYL6 |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-15-22-20(21)19-14-13-17(2)16-18(19)3/h13-14,16H,4-12,15H2,1-3H3 |
| InChIKey | JPVXDGJRJWPDTR-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUaCXzX9AlF |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-15-22-20(21)19-14-13-17(2)16-18(19)3/h13-14,16H,4-12,15H2,1-3H3 |
| InChIKey | JPVXDGJRJWPDTR-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCC |