| SpectraBase Compound ID | L3p0QzdcPRG |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-8-16(9-2,13(17)19-10-3)14(18)21-12(4)11-20-15(5,6)7/h12H,8-11H2,1-7H3 |
| InChIKey | TWOPSTSLOZAQRH-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50wcoRJDcih |
|---|---|
| Name | Diethylmalonic acid, ethyl 1-tert-butyloxyprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.209324061 u |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-8-16(9-2,13(17)19-10-3)14(18)21-12(4)11-20-15(5,6)7/h12H,8-11H2,1-7H3 |
| InChIKey | TWOPSTSLOZAQRH-UHFFFAOYSA-N |
| SMILES | C(C(C(OCC)=O)(C(OC(C)COC(C)(C)C)=O)CC)C |