| SpectraBase Compound ID | 6iwgmo9GyJs |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-13(2)19(14(3)4)23-17(21)11-9-10-12-18(22)24-20(15(5)6)16(7)8/h13-16,19-20H,9-12H2,1-8H3 |
| InChIKey | ATADCGPMGKCFGA-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdU96udJQ9Z |
|---|---|
| Name | Adipic acid, di(2,4-dimethylpent-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-13(2)19(14(3)4)23-17(21)11-9-10-12-18(22)24-20(15(5)6)16(7)8/h13-16,19-20H,9-12H2,1-8H3 |
| InChIKey | ATADCGPMGKCFGA-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OC(C(C)C)C(C)C)=O)CC(OC(C(C)C)C(C)C)=O |