| SpectraBase Compound ID | IrYtMiDEsIc |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-5-18-12(15)8-10(3)11-7-6-9(2)14(17-4)13(11)16/h6-7,10,16H,5,8H2,1-4H3 |
| InChIKey | ZNWODXYYPCJLQL-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vMTGP41XkT |
|---|---|
| Name | 3-(2-Hydroxy-3-methoxy-4-methyl-phenyl)butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-5-18-12(15)8-10(3)11-7-6-9(2)14(17-4)13(11)16/h6-7,10,16H,5,8H2,1-4H3 |
| InChIKey | ZNWODXYYPCJLQL-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C=1(C(C(CC(=O)OCC)C)=CC=C(C1OC)C)O |