| SpectraBase Compound ID | DFi2GHcQVKC |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10-5-7-11(8-6-10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | JNXWYJWBRZOTAF-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 | DSzapCWWyjN |
|---|---|
| Name | Benzeneacetic acid, 4-methyl-, 1,1-dimethylethyl 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/c1-10-5-7-11(8-6-10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | JNXWYJWBRZOTAF-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | Cc1ccc(cc1)CC(=O)OC(C)(C)C |