| SpectraBase Compound ID | 2BpI9tSSL38 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-6-7-12-17-25-20(23)15-10-11-16-21(24)26-19-14-9-8-13-18(19)22(2,3)4/h8-9,13-14H,5-7,10-12,15-17H2,1-4H3 |
| InChIKey | WJVGRIPIXQRXRJ-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 | I1LHArXKcVf |
|---|---|
| Name | Adipic acid, hexyl 2-tert-butylphenyl 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/c1-5-6-7-12-17-25-20(23)15-10-11-16-21(24)26-19-14-9-8-13-18(19)22(2,3)4/h8-9,13-14H,5-7,10-12,15-17H2,1-4H3 |
| InChIKey | WJVGRIPIXQRXRJ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCC)=O)OC1=C(C=CC=C1)C(C)(C)C |