| SpectraBase Compound ID | CNkGCwjwGyq |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-11-15(17(18)19)13(20-2)9-14(21-3)16(11)22-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | GIKYQQZXKYNHRL-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 | L0LcZ7daLNM |
|---|---|
| Name | 3-Benzyloxy-4,6-dimethoxy-2-methylbenzoic acid |
| 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/c1-11-15(17(18)19)13(20-2)9-14(21-3)16(11)22-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | GIKYQQZXKYNHRL-UHFFFAOYSA-N |
| SMILES | C(C=1C(=C(C(=CC1OC)OC)OCC=1C=CC=CC1)C)(=O)O |