| SpectraBase Compound ID | G8vSaRi2nar |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-9(12(14)17-4)13(2,15)10-5-7-11(16-3)8-6-10/h5-9,15H,1-4H3 |
| InChIKey | BRUKHZXZHYRMNG-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J96CpgS0URa |
|---|---|
| Name | 3-Hydroxy-3-(4-methoxyphenyl)-2-methyl-butyric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-9(12(14)17-4)13(2,15)10-5-7-11(16-3)8-6-10/h5-9,15H,1-4H3 |
| InChIKey | BRUKHZXZHYRMNG-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C(C(C(C)(O)C=1C=CC(=CC1)OC)C)(=O)OC |