| SpectraBase Compound ID | LVBvPAjltEm |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | JXNQUSHTRPPMNS-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ddn3P3Vf8D2 |
|---|---|
| Name | Tert-butyl-2-(4-methoxyphenyl)-2-oxoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8H,1-4H3 |
| InChIKey | JXNQUSHTRPPMNS-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C=1C=C(C=CC1OC)C(C(=O)OC(C)(C)C)=O |