| SpectraBase Compound ID | CtVABgEDaIq |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(21-19-23)26(2,3)4/h18-21H,5-17,22H2,1-4H3 |
| InChIKey | VWYKFDOLYZLSLQ-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mPCkb65WKZ |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.334130655 u |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(21-19-23)26(2,3)4/h18-21H,5-17,22H2,1-4H3 |
| InChIKey | VWYKFDOLYZLSLQ-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |