| SpectraBase Compound ID | FeqA9WHg9fu |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-15-10-8-9-14(5)11-15/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | YBKFMDATSPRFDI-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXLUfno8LA8 |
|---|---|
| Name | Diethylmalonic acid, isobutyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-15-10-8-9-14(5)11-15/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | YBKFMDATSPRFDI-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=CC(=CC=C1)C)=O)CC |