| SpectraBase Compound ID | 19iIBETUMDz |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-10-11-13(5)20-15(18)16(8-3,9-4)14(17)19-12-7-2/h13H,6-12H2,1-5H3 |
| InChIKey | SQHZSKGKFSWKHQ-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ER0oP8GUTAF |
|---|---|
| Name | Diethylmalonic acid, 2-hexyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-6-10-11-13(5)20-15(18)16(8-3,9-4)14(17)19-12-7-2/h13H,6-12H2,1-5H3 |
| InChIKey | SQHZSKGKFSWKHQ-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCC)=O)(CC)CC)(OC(C)CCCC)=O |