| SpectraBase Compound ID | AAn06sTCDPC |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-11(10-14(2,3)4)16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey | GZYLCJLBBIWGJZ-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVhU381TmIz |
|---|---|
| Name | Benzoic acid, 4,4-dimethylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-11(10-14(2,3)4)16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey | GZYLCJLBBIWGJZ-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | CC(C)(CC(OC(C1=CC=CC=C1)=O)C)C |