| SpectraBase Compound ID | L02UHotFqGB |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-6-7-8-9-16-24-20(22)14-11-15-21(23)25-19-13-10-12-18(4-2)17-19/h10,12-13,17H,3-9,11,14-16H2,1-2H3 |
| InChIKey | MTNBIMIQKZMFCG-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 | 71bXp5xBq9T |
|---|---|
| Name | Glutaric acid, 3-ethylphenyl 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/c1-3-5-6-7-8-9-16-24-20(22)14-11-15-21(23)25-19-13-10-12-18(4-2)17-19/h10,12-13,17H,3-9,11,14-16H2,1-2H3 |
| InChIKey | MTNBIMIQKZMFCG-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC=CC(=C1)CC)=O)=O |