| SpectraBase Compound ID | ESV8S5bqC4Y |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-14(6)10-11-20-15(18)17(8-2,9-3)16(19)21-12-13(4)5/h13-14H,7-12H2,1-6H3 |
| InChIKey | WQVXSAZCBOXRGY-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3D3ZuO4IrDU |
|---|---|
| Name | Diethylmalonic acid, isobutyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-7-14(6)10-11-20-15(18)17(8-2,9-3)16(19)21-12-13(4)5/h13-14H,7-12H2,1-6H3 |
| InChIKey | WQVXSAZCBOXRGY-UHFFFAOYSA-N |
| SMILES | C(C(OCC(C)C)=O)(C(OCCC(CC)C)=O)(CC)CC |