| SpectraBase Compound ID | 9KlpdV8YB8p |
|---|---|
| InChI | InChI=1S/C18H18O6/c1-4-23-17(19)12-7-5-8-13(11-12)18(20)24-16-14(21-2)9-6-10-15(16)22-3/h5-11H,4H2,1-3H3 |
| InChIKey | KEJUOWFKTLQCGS-UHFFFAOYSA-N |
| Mol Weight | 330.34 g/mol |
| Molecular Formula | C18H18O6 |
| Exact Mass | 330.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dw66uNEtBJB |
|---|---|
| Name | Isophthalic acid, 2,6-dimethoxyphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.110338294 u |
| Formula | C18H18O6 |
| InChI | InChI=1S/C18H18O6/c1-4-23-17(19)12-7-5-8-13(11-12)18(20)24-16-14(21-2)9-6-10-15(16)22-3/h5-11H,4H2,1-3H3 |
| InChIKey | KEJUOWFKTLQCGS-UHFFFAOYSA-N |
| Molecular Weight | 330.336 g/mol |
| SMILES | C1(=C(C(=CC=C1)OC)OC(C1=CC(=CC=C1)C(OCC)=O)=O)OC |