| SpectraBase Compound ID | 85uBakKsARD |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h11H,1,5-9H2,2-4H3 |
| InChIKey | WXWCOSOHWCHPTP-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdD4iLBMEi8 |
|---|---|
| Name | Succinic acid, isobutyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h11H,1,5-9H2,2-4H3 |
| InChIKey | WXWCOSOHWCHPTP-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | CC(=C)CCOC(CCC(OCC(C)C)=O)=O |