| SpectraBase Compound ID | 1TzH4aO1x1M |
|---|---|
| InChI | InChI=1S/C17H18O6/c1-20-12-6-4-11(5-7-12)10-23-13-8-14(17(18)19)16(22-3)15(9-13)21-2/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | ANGJFZJPIQQVLU-UHFFFAOYSA-N |
| Mol Weight | 318.33 g/mol |
| Molecular Formula | C17H18O6 |
| Exact Mass | 318.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 987VRGwg3ss |
|---|---|
| Name | 2,3-Dimethoxy-5-(4-methoxybenzyloxy)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.110338294 u |
| Formula | C17H18O6 |
| InChI | InChI=1S/C17H18O6/c1-20-12-6-4-11(5-7-12)10-23-13-8-14(17(18)19)16(22-3)15(9-13)21-2/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | ANGJFZJPIQQVLU-UHFFFAOYSA-N |
| Molecular Weight | 318.325 g/mol |
| SMILES | C(C=1C(=C(C=C(C1)OCC=1C=CC(=CC1)OC)OC)OC)(=O)O |