| SpectraBase Compound ID | InFFATLfAEW |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-9(2)7-6-8-10(11(14)15)12(16)17-13(3,4)5/h10H,1,6-8H2,2-5H3,(H,14,15) |
| InChIKey | JFWAPTKZYIWPFT-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 | 7jztPGHpXF1 |
|---|---|
| Name | 2-(4-Methylpent-4-enyl)malonic acid T-butyl 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/c1-9(2)7-6-8-10(11(14)15)12(16)17-13(3,4)5/h10H,1,6-8H2,2-5H3,(H,14,15) |
| InChIKey | JFWAPTKZYIWPFT-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(C(C(=O)O)CCCC(=C)C)(OC(C)(C)C)=O |