| SpectraBase Compound ID | cXEhtZh5iS |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-9-20-16(18)7-5-6-8-17(19)21-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3 |
| InChIKey | IZKZZDDGBFHWCE-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 | K3ElKVvwMkw |
|---|---|
| Name | Adipic acid, 3,5-dimethylphenyl propyl 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/c1-4-9-20-16(18)7-5-6-8-17(19)21-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3 |
| InChIKey | IZKZZDDGBFHWCE-UHFFFAOYSA-N |
| SMILES | C(CCC(=O)OC=1C=C(C)C=C(C)C1)CC(OCCC)=O |