| SpectraBase Compound ID | H2mmiyTlZxu |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-9(14)18-12-8-11(16-2)6-4-10(12)5-7-13(15)17-3/h4,6,8H,5,7H2,1-3H3 |
| InChIKey | IWONVVBFIAJGSE-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55yri8JaUyL |
|---|---|
| Name | Methyl 3-(2-acetoxy-4-methoxyphenyl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-9(14)18-12-8-11(16-2)6-4-10(12)5-7-13(15)17-3/h4,6,8H,5,7H2,1-3H3 |
| InChIKey | IWONVVBFIAJGSE-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1(OC(=O)C)=CC(OC)=CC=C1CCC(=O)OC |