| SpectraBase Compound ID | 6Bw0ClIQGHr |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-6-7-8-9-10-11-16-23(5)29-25(27)18-13-17-24(26)28-20-19-22(4)15-12-14-21(2)3/h21-23H,6-20H2,1-5H3 |
| InChIKey | VDFNXPDSFWFNRS-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 | BHBVZgYav0j |
|---|---|
| Name | Glutaric acid, dec-2-yl 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/c1-6-7-8-9-10-11-16-23(5)29-25(27)18-13-17-24(26)28-20-19-22(4)15-12-14-21(2)3/h21-23H,6-20H2,1-5H3 |
| InChIKey | VDFNXPDSFWFNRS-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OCCC(CCCC(C)C)C)=O |