| SpectraBase Compound ID | 9ULdjqCKsPg |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-7-8-9-11-17(3)24-19(22)13-10-12-18(21)23-15-16(2)14-20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | PZDUPLRHCZJCTL-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKRTUfIEWkk |
|---|---|
| Name | Glutaric acid, hept-2-yl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-7-8-9-11-17(3)24-19(22)13-10-12-18(21)23-15-16(2)14-20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | PZDUPLRHCZJCTL-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC(CC(C)(C)C)C)=O |