| SpectraBase Compound ID | IjR6sqIo3CJ |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-7-11-12-13-14-15-23-18(21)20(9-3,10-4)19(22)24-17(8-2)16(5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | XKKNPUMBWKCKJI-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 | KdSXxleXigv |
|---|---|
| Name | Diethylmalonic acid, heptyl 2-methylpent-3-yl 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/c1-7-11-12-13-14-15-23-18(21)20(9-3,10-4)19(22)24-17(8-2)16(5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | XKKNPUMBWKCKJI-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OC(C(C)C)CC)=O |