| SpectraBase Compound ID | 5a2cdB7s8qU |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3 |
| InChIKey | CJFLBOQMPJCWLR-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DguXJbaUaHU |
|---|---|
| Name | Adipic acid, bis(6-methylheptyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3 |
| InChIKey | CJFLBOQMPJCWLR-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CC(C)C)CCCOC(=O)CCCCC(=O)OCCCCCC(C)C |