| SpectraBase Compound ID | 2JSjG5CV9VW |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-8-11-15(14(3)4)22-17(20)12-10-13-18(21)23-16(9-2)19(5,6)7/h14-16H,8-13H2,1-7H3 |
| InChIKey | QMAMRRXCERWUBJ-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HBptL8MJ5P |
|---|---|
| Name | Glutaric acid, 2,2-dimethylpent-3-yl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-8-11-15(14(3)4)22-17(20)12-10-13-18(21)23-16(9-2)19(5,6)7/h14-16H,8-13H2,1-7H3 |
| InChIKey | QMAMRRXCERWUBJ-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OC(C(C)(C)C)CC)(=O)CCCC(OC(CCC)C(C)C)=O |