| SpectraBase Compound ID | 7sTz7J6ttWt |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-11-16-25-21(23)12-9-10-13-22(24)26-20-15-14-18(2)19(3)17-20/h14-15,17H,4-13,16H2,1-3H3 |
| InChIKey | YCCWWVTVWYEPPL-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 | JbYyi3UbAI6 |
|---|---|
| Name | Adipic acid, 3,4-dimethylphenyl 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/c1-4-5-6-7-8-11-16-25-21(23)12-9-10-13-22(24)26-20-15-14-18(2)19(3)17-20/h14-15,17H,4-13,16H2,1-3H3 |
| InChIKey | YCCWWVTVWYEPPL-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCOC(CCCCC(=O)OC=1C=CC(C)=C(C)C1)=O)CCC |