| SpectraBase Compound ID | 4uN7IHe3nSx |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-7(2)4-5-12-9(11)6-8(3)10/h4H,5-6H2,1-3H3 |
| InChIKey | HWIAQCZAVCBIHB-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lms2RAryUs |
|---|---|
| Name | 3-Ketobutyric acid 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-7(2)4-5-12-9(11)6-8(3)10/h4H,5-6H2,1-3H3 |
| InChIKey | HWIAQCZAVCBIHB-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(C(=O)OCC=C(C)C)C(=O)C |