| SpectraBase Compound ID | 1ViLqpp9lFO |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-13-9(12)7(6(2)3)5-8(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | QQZFWPPTASWDEO-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOsVioTQFBR |
|---|---|
| Name | Ethyl 2-isopropylidenesuccinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-4-13-9(12)7(6(2)3)5-8(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | QQZFWPPTASWDEO-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(C(=O)OCC)(=C(C)C)CC(=O)O |