| SpectraBase Compound ID | JBvFKVkyeLu |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-15-8-5-6-11-18(15)24-20(22)17-10-7-9-16(12-17)19(21)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | POKKUATZZIRARQ-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 | 3Xy2Rb3vg52 |
|---|---|
| Name | Isophthalic acid, 2-ethylphenyl isobutyl 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/c1-4-15-8-5-6-11-18(15)24-20(22)17-10-7-9-16(12-17)19(21)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | POKKUATZZIRARQ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCC(C)C)C(OC1=C(CC)C=CC=C1)=O |