| SpectraBase Compound ID | 6BQyIQWTblf |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-16-25-20(23)14-13-15-21(24)26-18-19(2)17-22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YPGLWBKGLATYPX-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4K67BOMJV9t |
|---|---|
| Name | Glutaric acid, nonyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-16-25-20(23)14-13-15-21(24)26-18-19(2)17-22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YPGLWBKGLATYPX-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(OCC(CC(C)(C)C)C)(=O)CCCC(OCCCCCCCCC)=O |