| SpectraBase Compound ID | 5eFyaZZfseu |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-6-14(7-2,12(15)17-8-3)13(16)18-10-9-11(4)5/h11H,6-10H2,1-5H3 |
| InChIKey | QCIDMQCYLCBJDH-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nDDInu38xh |
|---|---|
| Name | Diethylmalonic acid, ethyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-6-14(7-2,12(15)17-8-3)13(16)18-10-9-11(4)5/h11H,6-10H2,1-5H3 |
| InChIKey | QCIDMQCYLCBJDH-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCCC(C)C)=O)CC |