| SpectraBase Compound ID | F9L2Bn1vMag |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-26(28)24-19-21-25(22-20-24)27(2,3)4/h19-22H,5-18,23H2,1-4H3 |
| InChIKey | WORLJKXGDQDFSS-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HOzZdVeEbA |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-26(28)24-19-21-25(22-20-24)27(2,3)4/h19-22H,5-18,23H2,1-4H3 |
| InChIKey | WORLJKXGDQDFSS-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |