| SpectraBase Compound ID | EqYbI4xMQOI |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-5-10-23-19(21)16-6-8-17(9-7-16)20(22)24-18-12-14(2)11-15(3)13-18/h6-9,11-13H,4-5,10H2,1-3H3 |
| InChIKey | JOUJJRHEYSVCFF-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 | KrjXLLbLSja |
|---|---|
| Name | Terephthalic acid, butyl 3,5-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/c1-4-5-10-23-19(21)16-6-8-17(9-7-16)20(22)24-18-12-14(2)11-15(3)13-18/h6-9,11-13H,4-5,10H2,1-3H3 |
| InChIKey | JOUJJRHEYSVCFF-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCC)=O)C(OC1=CC(C)=CC(=C1)C)=O |