| SpectraBase Compound ID | 8m4Yr6ESGQI |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-5-12-23-19(21)16-7-9-17(10-8-16)20(22)24-18-11-6-14(2)15(3)13-18/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | BWHUMYBVLYEEBJ-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HKOKwGjIof |
|---|---|
| Name | Terephthalic acid, butyl 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-4-5-12-23-19(21)16-7-9-17(10-8-16)20(22)24-18-11-6-14(2)15(3)13-18/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | BWHUMYBVLYEEBJ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OC1=CC=C(C(=C1)C)C)=O |