| SpectraBase Compound ID | CyfPjcF2CMT |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-19-15(17)7-5-6-8-16(18)20-14-11-12(2)9-10-13(14)3/h9-11H,4-8H2,1-3H3 |
| InChIKey | DQKOFKPIYMHZSA-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fd9EUVkLskD |
|---|---|
| Name | Adipic acid, 2,5-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-19-15(17)7-5-6-8-16(18)20-14-11-12(2)9-10-13(14)3/h9-11H,4-8H2,1-3H3 |
| InChIKey | DQKOFKPIYMHZSA-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CC(=O)OC=1C(C)=CC=C(C)C1)CCC(OCC)=O |