| SpectraBase Compound ID | Kfb5bBtH6xN |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-6-5-7-10(8-9)14-4/h5-8H,1-4H3 |
| InChIKey | ZPLFHXUDJLEUOT-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ih8431xrQfm |
|---|---|
| Name | Benzoic acid, 3-methoxy-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-6-5-7-10(8-9)14-4/h5-8H,1-4H3 |
| InChIKey | ZPLFHXUDJLEUOT-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC(C)(C)C)(C=1C=C(OC)C=CC1)=O |