| SpectraBase Compound ID | F00e1e9IUDZ |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-15(2)14-24-20(22)18-10-6-9-17(13-18)19(21)23-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3 |
| InChIKey | WFAMPQKQBRXWEV-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 | 7R3JnPN3lUW |
|---|---|
| Name | Isophthalic acid, isobutyl phenylethyl 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/c1-15(2)14-24-20(22)18-10-6-9-17(13-18)19(21)23-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3 |
| InChIKey | WFAMPQKQBRXWEV-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCC1=CC=CC=C1)=O)(OCC(C)C)=O |