| SpectraBase Compound ID | o70cVBeh7b |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h6-12H,4-5,13H2,1-3H3 |
| InChIKey | CGJLPWXAVCYOHW-UHFFFAOYSA-N |
| Mol Weight | 358.39 g/mol |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GH6KNRuFow |
|---|---|
| Name | Phthalic acid, butyl 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.141638422 u |
| Formula | C20H22O6 |
| InChI | InChI=1S/C20H22O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h6-12H,4-5,13H2,1-3H3 |
| InChIKey | CGJLPWXAVCYOHW-UHFFFAOYSA-N |
| Molecular Weight | 358.390 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC1=C(OC)C=CC=C1OC)=O)(=O)OCCCC |