| SpectraBase Compound ID | Dq32UNxs21p |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-7-12-16(5)18(9-3)24-20(22)14-11-15-21(23)25-19(10-4)17(6)13-8-2/h16-19H,7-15H2,1-6H3 |
| InChIKey | PDJSDNSFYSWPLV-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIso08DZJb |
|---|---|
| Name | Glutaric acid, di(4-methylhept-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-7-12-16(5)18(9-3)24-20(22)14-11-15-21(23)25-19(10-4)17(6)13-8-2/h16-19H,7-15H2,1-6H3 |
| InChIKey | PDJSDNSFYSWPLV-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(OC(C(C)CCC)CC)(=O)CCCC(OC(C(C)CCC)CC)=O |