| SpectraBase Compound ID | 2wWgR1winYk |
|---|---|
| InChI | InChI=1S/C23H30O2/c1-4-6-7-8-19-11-15-22(16-12-19)25-23(24)21-13-9-20(10-14-21)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3 |
| InChIKey | DCPLMDMTGIATSZ-UHFFFAOYSA-N |
| Mol Weight | 338.49 g/mol |
| Molecular Formula | C23H30O2 |
| Exact Mass | 338.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PXzsa41Gcw |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-pentylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.224580204 u |
| Formula | C23H30O2 |
| InChI | InChI=1S/C23H30O2/c1-4-6-7-8-19-11-15-22(16-12-19)25-23(24)21-13-9-20(10-14-21)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3 |
| InChIKey | DCPLMDMTGIATSZ-UHFFFAOYSA-N |
| Molecular Weight | 338.491 g/mol |
| SMILES | CCCCCC1=CC=C(OC(=O)C2=CC=C(CC(C)CC)C=C2)C=C1 |