| SpectraBase Compound ID | ALuYUYnsA5p |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-5-6-7-8-9-10-15-21-18(20)16-11-13-17(14-12-16)19(2,3)4/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | LYHCEGUOXQINQJ-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQIu6MR84ss |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-5-6-7-8-9-10-15-21-18(20)16-11-13-17(14-12-16)19(2,3)4/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | LYHCEGUOXQINQJ-UHFFFAOYSA-N |
| SMILES | C(=O)(OCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |