| SpectraBase Compound ID | SfdvcwEjXX |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | VGNDQTDDMDZSAK-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 | 4PKKtkx9JPn |
|---|---|
| Name | 4-Methoxy-benzoic acid tert-butyl 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)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | VGNDQTDDMDZSAK-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)OC)=O)(C)(C)C |