| SpectraBase Compound ID | 341ziKEasIY |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-6-9-10-11-14-24-18(21)20(7-2,8-3)19(22)25-16-13-17(4)12-15-23-5/h17H,6-16H2,1-5H3 |
| InChIKey | XPXNKBZXKDGXKC-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nwKYjL44Lq |
|---|---|
| Name | Diethylmalonic acid, hexyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-6-9-10-11-14-24-18(21)20(7-2,8-3)19(22)25-16-13-17(4)12-15-23-5/h17H,6-16H2,1-5H3 |
| InChIKey | XPXNKBZXKDGXKC-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(CC)CC)(OCCC(CCOC)C)=O |