| SpectraBase Compound ID | 709sdQae6dP |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-4-5-12-25-19(21)14-8-6-9-15(13-14)20(22)26-18-16(23-2)10-7-11-17(18)24-3/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | MNXJPJLVENTFFS-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 | IsJbxvmsi0R |
|---|---|
| Name | Isophthalic 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/c1-4-5-12-25-19(21)14-8-6-9-15(13-14)20(22)26-18-16(23-2)10-7-11-17(18)24-3/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | MNXJPJLVENTFFS-UHFFFAOYSA-N |
| Molecular Weight | 358.390 g/mol |
| SMILES | CCCCOC(C=1C=C(C(OC2=C(C=CC=C2OC)OC)=O)C=CC1)=O |