| SpectraBase Compound ID | Jq0xBYbgcV1 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-16(12-20(3,4)5)14-24-18(22)10-9-11-19(23)25-15-17(2)13-21(6,7)8/h16-17H,9-15H2,1-8H3 |
| InChIKey | ARWFUUWYTHXGTH-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 944HVNunZ7o |
|---|---|
| Name | Glutaric acid, di(2,4,4-trimethylpentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-16(12-20(3,4)5)14-24-18(22)10-9-11-19(23)25-15-17(2)13-21(6,7)8/h16-17H,9-15H2,1-8H3 |
| InChIKey | ARWFUUWYTHXGTH-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(OCC(CC(C)(C)C)C)(=O)CCCC(OCC(CC(C)(C)C)C)=O |