| SpectraBase Compound ID | 6I9hd2vuzMO |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-19-25-22(24)20-15-17-21(18-16-20)23(2,3)4/h15-18H,5-14,19H2,1-4H3 |
| InChIKey | RHDUFQGLFNMALK-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DulZxzuqW5I |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-19-25-22(24)20-15-17-21(18-16-20)23(2,3)4/h15-18H,5-14,19H2,1-4H3 |
| InChIKey | RHDUFQGLFNMALK-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |