| SpectraBase Compound ID | IhUcaFKCHPe |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3 |
| InChIKey | SKLDSBDDFLLJHC-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 | 4xuTiqCi450 |
|---|---|
| Name | Phthalic acid, butyl 2-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/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3 |
| InChIKey | SKLDSBDDFLLJHC-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(COC(C1=C(C(OCCCC)=O)C=CC=C1)=O)C1=CC=CC=C1 |