| SpectraBase Compound ID | DoI8QR2CSKQ |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-11-20-16(18)7-5-6-8-17(19)21-15-12-13(2)9-10-14(15)3/h9-10,12H,4-8,11H2,1-3H3 |
| InChIKey | GNIPOSNSGAUYSJ-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 | AteRWCFhn99 |
|---|---|
| Name | Adipic acid, 2,5-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/c1-4-11-20-16(18)7-5-6-8-17(19)21-15-12-13(2)9-10-14(15)3/h9-10,12H,4-8,11H2,1-3H3 |
| InChIKey | GNIPOSNSGAUYSJ-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCC)=O)OC1=C(C=CC(=C1)C)C |