| SpectraBase Compound ID | DhStBMLhHzx |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3 |
| InChIKey | GAZFDPSEEIVCEX-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECTYQaXSq1d |
|---|---|
| Name | Dimethyl 2-isobutylmalonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3 |
| InChIKey | GAZFDPSEEIVCEX-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | COC(=O)C(CC(C)C)C(=O)OC |