| SpectraBase Compound ID | 4WKVG8lCoPw |
|---|---|
| InChI | InChI=1S/C18H28O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12,16,19H,4-8,10,13H2,1-3H3 |
| InChIKey | YGTUPNVRJLBEJP-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C18H28O5 |
| Exact Mass | 324.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqLicTL84s9 |
|---|---|
| Name | Methyl 6,8-dimethoxy-2-(8'-hydroxyoctyl)-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.193673997 u |
| Formula | C18H28O5 |
| InChI | InChI=1S/C18H28O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12,16,19H,4-8,10,13H2,1-3H3 |
| InChIKey | YGTUPNVRJLBEJP-UHFFFAOYSA-N |
| Molecular Weight | 324.417 g/mol |
| SMILES | C1(C(=O)OC)=C(OC)C=CC=C1CCCCCCCC(O)OC |