| SpectraBase Compound ID | HJWZEl17fd2 |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h2H,5,7-11H2,1,3-4H3 |
| InChIKey | HVJPACZUNJXVBC-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dnub4yYxTjG |
|---|---|
| Name | 2-Butyl-2-prop-2-ynylmalonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h2H,5,7-11H2,1,3-4H3 |
| InChIKey | HVJPACZUNJXVBC-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(C(C(=O)OCC)(CC#C)CCCC)(=O)OCC |