| SpectraBase Compound ID | IbhqZ6MBoA7 |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-5-24-18(21)20(13-12-16(3)4,19(22)25-6-2)15-23-14-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3 |
| InChIKey | MEAPCGWYCJTQKK-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 | DkQn9oxsUyQ |
|---|---|
| Name | Diethyl 2-benzyloxymethyl-2-isopentylmalonate |
| 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/c1-5-24-18(21)20(13-12-16(3)4,19(22)25-6-2)15-23-14-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3 |
| InChIKey | MEAPCGWYCJTQKK-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(CCC(C)C)COCC=1C=CC=CC1 |