| SpectraBase Compound ID | LNYthxoP0OU |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-8-9-10-11-13(3)20-15(18)16(4,5)14(17)19-12-7-2/h13H,6-12H2,1-5H3 |
| InChIKey | LIOOCDPBNKCYJD-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 | 6faAGthfIxi |
|---|---|
| Name | Dimethylmalonic acid, 2-octyl 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/c1-6-8-9-10-11-13(3)20-15(18)16(4,5)14(17)19-12-7-2/h13H,6-12H2,1-5H3 |
| InChIKey | LIOOCDPBNKCYJD-UHFFFAOYSA-N |
| SMILES | CC(OC(=O)C(C)(C)C(=O)OCCC)CCCCCC |