| SpectraBase Compound ID | CDbbGDEee4o |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-6-7-8-9-12-15-23-18(21)13-10-11-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3 |
| InChIKey | BGFMQQJKGVEIFK-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 | 6Nw8aZgOMh2 |
|---|---|
| Name | Adipic acid, 2,4-dimethylpent-3-yl heptyl 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/c1-6-7-8-9-12-15-23-18(21)13-10-11-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3 |
| InChIKey | BGFMQQJKGVEIFK-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OC(C(C)C)C(C)C)=O)CC(OCCCCCCC)=O |