| SpectraBase Compound ID | GAuJ1IedBep |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-20(2)10-7-12-22(5)16-18-28-24(26)14-9-15-25(27)29-19-17-23(6)13-8-11-21(3)4/h20-23H,7-19H2,1-6H3 |
| InChIKey | NUXPEKJWRCBJBZ-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BixklpGsz1F |
|---|---|
| Name | Glutaric acid, di(3,7-dimethyloctyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-20(2)10-7-12-22(5)16-18-28-24(26)14-9-15-25(27)29-19-17-23(6)13-8-11-21(3)4/h20-23H,7-19H2,1-6H3 |
| InChIKey | NUXPEKJWRCBJBZ-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCC(OCCC(C)CCCC(C)C)=O)C(OCCC(CCCC(C)C)C)=O |