| SpectraBase Compound ID | 4OjEzFIvIQK |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-24-19(22)14-17(20(23)16-10-6-3-7-11-16)12-13-18(21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3 |
| InChIKey | GPLQOUSRHOXCGS-UHFFFAOYSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LN1dPA8pShi |
|---|---|
| Name | Methyl 1,3-dibenzoylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.136159120 u |
| Formula | C20H20O4 |
| InChI | InChI=1S/C20H20O4/c1-24-19(22)14-17(20(23)16-10-6-3-7-11-16)12-13-18(21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3 |
| InChIKey | GPLQOUSRHOXCGS-UHFFFAOYSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C1(C(C(CC(=O)OC)CCC(C=2C=CC=CC2)=O)=O)=CC=CC=C1 |