| SpectraBase Compound ID | KHHDPoedqR6 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-3-4-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15H2,1H3 |
| InChIKey | CJFKPNMFEABVHJ-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 | 4vtoGokqXjs |
|---|---|
| Name | Terephthalic acid, hexyl phenyl 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/c1-2-3-4-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15H2,1H3 |
| InChIKey | CJFKPNMFEABVHJ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 |