| SpectraBase Compound ID | LgUaLnC1RjU |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-6-16(7-2,13(17)19-8-3)14(18)20-10-9-12-11-21-15(4,5)22-12/h12H,6-11H2,1-5H3 |
| InChIKey | DSEMECMSXHKNGY-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2V5FgfrEkFm |
|---|---|
| Name | Diethylmalonic acid, 2-(3,3-dimethyl-2,4-oxacyclopentyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.188588616 u |
| Formula | C16H28O6 |
| InChI | InChI=1S/C16H28O6/c1-6-16(7-2,13(17)19-8-3)14(18)20-10-9-12-11-21-15(4,5)22-12/h12H,6-11H2,1-5H3 |
| InChIKey | DSEMECMSXHKNGY-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | CCC(C(OCCC1OC(C)(C)OC1)=O)(C(OCC)=O)CC |