| SpectraBase Compound ID | 8FpwCM340Yf |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3 |
| InChIKey | GGLQTZOMYPPPAK-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BquavTg6YjY |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3 |
| InChIKey | GGLQTZOMYPPPAK-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(=O)(OCC(C)C)C=1C=CC(=CC1)C(C)(C)C |