| SpectraBase Compound ID | GdgCBIRO7bN |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-7-11-12-13-14-22-17(20)19(9-3,10-4)18(21)23-16(8-2)15(5)6/h15-16H,7-14H2,1-6H3 |
| InChIKey | IFYCIEDMLWETOD-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 | ExYRgby3C6Z |
|---|---|
| Name | Diethylmalonic acid, hexyl 2-methylpent-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/c1-7-11-12-13-14-22-17(20)19(9-3,10-4)18(21)23-16(8-2)15(5)6/h15-16H,7-14H2,1-6H3 |
| InChIKey | IFYCIEDMLWETOD-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(CC)CC)(OC(C(C)C)CC)=O |