| SpectraBase Compound ID | 4LA6XIpbAgq |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-6-9-14-23-18(21)20(7-2,8-3)19(22)25-17-13-11-10-12-16(17)24-15(4)5/h10-13,15H,6-9,14H2,1-5H3 |
| InChIKey | GAUYBNIAYCWWOG-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHMYvDX479u |
|---|---|
| Name | Diethylmalonic acid, butyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-6-9-14-23-18(21)20(7-2,8-3)19(22)25-17-13-11-10-12-16(17)24-15(4)5/h10-13,15H,6-9,14H2,1-5H3 |
| InChIKey | GAUYBNIAYCWWOG-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC |