| SpectraBase Compound ID | AMgHTYUYqWX |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-7(2)4-5-12-9(11)6-13-8(3)10/h4H,5-6H2,1-3H3 |
| InChIKey | UABGOXKDESJTAT-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 | Fr5RyQ3bJuP |
|---|---|
| Name | Acetoxyacetic acid, 3-methylbut-2-enyl ester |
| 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/c1-7(2)4-5-12-9(11)6-13-8(3)10/h4H,5-6H2,1-3H3 |
| InChIKey | UABGOXKDESJTAT-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | CC(OCC(OCC=C(C)C)=O)=O |