| SpectraBase Compound ID | KruQtwVklMT |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-13-24-20(22)11-10-12-21(23)25-19-15-17(2)14-18(3)16-19/h14-16H,4-13H2,1-3H3 |
| InChIKey | ZBQKAAUZEPFKQB-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9zXETTbGEc |
|---|---|
| Name | Glutaric acid, 3,5-dimethylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-13-24-20(22)11-10-12-21(23)25-19-15-17(2)14-18(3)16-19/h14-16H,4-13H2,1-3H3 |
| InChIKey | ZBQKAAUZEPFKQB-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC(=CC(=C1)C)C)=O)=O |