| SpectraBase Compound ID | 6N8SBTUzRwI |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-20-14-10-9-13(11-15(14)21-2)17(19,16(18)22-3)12-7-5-4-6-8-12/h4-11,19H,1-3H3 |
| InChIKey | ZELZVKNLBWFKJS-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFVf1Lelcft |
|---|---|
| Name | (3,4-Dimethoxy-phenyl)-hydroxy-phenylacetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-20-14-10-9-13(11-15(14)21-2)17(19,16(18)22-3)12-7-5-4-6-8-12/h4-11,19H,1-3H3 |
| InChIKey | ZELZVKNLBWFKJS-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1OC)OC)C(C1=CC=CC=C1)(O)C(OC)=O |