| SpectraBase Compound ID | IUWwBd0WfBF |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-16(2)9-8-14-22-18(20)12-6-7-13-19(21)23-15-17-10-4-3-5-11-17/h16-17H,3-15H2,1-2H3 |
| InChIKey | VARUNTRWTZNLGT-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MlIR2j8BKf |
|---|---|
| Name | Adipic acid, cyclohexylmethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-16(2)9-8-14-22-18(20)12-6-7-13-19(21)23-15-17-10-4-3-5-11-17/h16-17H,3-15H2,1-2H3 |
| InChIKey | VARUNTRWTZNLGT-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C1C(CCCC1)COC(=O)CCCCC(OCCCC(C)C)=O |