| SpectraBase Compound ID | FKO01YEjDmj |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-13(2)12-20-16(18)9-4-5-10-17(19)21-15-8-6-7-14(3)11-15/h6-8,11,13H,4-5,9-10,12H2,1-3H3 |
| InChIKey | XOJCCDPWSJDACX-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 | FDzNOJyNCKx |
|---|---|
| Name | Adipic acid, isobutyl 3-methylphenyl 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/c1-13(2)12-20-16(18)9-4-5-10-17(19)21-15-8-6-7-14(3)11-15/h6-8,11,13H,4-5,9-10,12H2,1-3H3 |
| InChIKey | XOJCCDPWSJDACX-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC1=CC(=CC=C1)C)CCCC(OCC(C)C)=O |