| SpectraBase Compound ID | DJSW9XtTK0h |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-20-16(18)11-7-8-12-17(19)21-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3 |
| InChIKey | IALPVCHWMILVEV-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 | qis5P4UX52 |
|---|---|
| Name | Adipic acid, ethyl 2-isopropylphenyl 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/c1-4-20-16(18)11-7-8-12-17(19)21-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3 |
| InChIKey | IALPVCHWMILVEV-UHFFFAOYSA-N |
| SMILES | CC(C)C1=CC=CC=C1OC(=O)CCCCC(OCC)=O |