| SpectraBase Compound ID | E9BLVWnHLjs |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15) |
| InChIKey | RRPZDNYHNUEVSC-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 | BJwCeHMarwA |
|---|---|
| Name | 3-(3,4-Diethoxyphenyl)propanoic acid |
| 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/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15) |
| InChIKey | RRPZDNYHNUEVSC-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C(OC1=C(C=CC(=C1)CCC(=O)O)OCC)C |