| SpectraBase Compound ID | 62Jv5WJ9SEx |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10(13(2,3)4)15-12(14)11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | FDEANYZLSJVGGW-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQt9r3ERClU |
|---|---|
| Name | Benzoic acid, 3,3-dimethylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-10(13(2,3)4)15-12(14)11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | FDEANYZLSJVGGW-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | CC(C)(C(C)OC(C1=CC=CC=C1)=O)C |