| SpectraBase Compound ID | JndoHclzGOX |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-9-6-7-10(2)11(8-9)12(14)15-13(3,4)5/h6-8H,1-5H3 |
| InChIKey | CIRKQBCGHJXSGR-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 | DAwr5WE226j |
|---|---|
| Name | 2,5-Dimethylbenzoic acid tert-butyl 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/c1-9-6-7-10(2)11(8-9)12(14)15-13(3,4)5/h6-8H,1-5H3 |
| InChIKey | CIRKQBCGHJXSGR-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C=1C(=CC=C(C1)C)C)(OC(C)(C)C)=O |