| SpectraBase Compound ID | 5uUAfCNqNbp |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-14-7-5-8-15(11-14)21-17(19)10-6-9-16(18)20-12-13(2)3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3 |
| InChIKey | CHKYOVLPIDYFLI-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9SaiOnnlg7 |
|---|---|
| Name | Glutaric acid, 3-ethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-14-7-5-8-15(11-14)21-17(19)10-6-9-16(18)20-12-13(2)3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3 |
| InChIKey | CHKYOVLPIDYFLI-UHFFFAOYSA-N |
| SMILES | CC(C)COC(CCCC(OC1=CC=CC(=C1)CC)=O)=O |