| SpectraBase Compound ID | 7aH9pgPJwRL |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-6-7-8-13-18-25-21(23)16-11-12-17-22(24)26-20-15-10-9-14-19(20)4-2/h9-10,14-15H,3-8,11-13,16-18H2,1-2H3 |
| InChIKey | CGOMJNIQSDXGBO-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zKC4Dw9iHt |
|---|---|
| Name | Adipic acid, 2-ethylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-3-5-6-7-8-13-18-25-21(23)16-11-12-17-22(24)26-20-15-10-9-14-19(20)4-2/h9-10,14-15H,3-8,11-13,16-18H2,1-2H3 |
| InChIKey | CGOMJNIQSDXGBO-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCC(OC=1C(CC)=CC=CC1)=O)CC(OCCCCCCCC)=O |