| SpectraBase Compound ID | 4edOg3xrb6Z |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-3-4-5-6-12-9(11)7-13-8(2)10/h1,4-5H,6-7H2,2H3 |
| InChIKey | LBWYRFGDVNLWTE-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZHoBFzjQWz |
|---|---|
| Name | Acetoxyacetic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-3-4-5-6-12-9(11)7-13-8(2)10/h1,4-5H,6-7H2,2H3 |
| InChIKey | LBWYRFGDVNLWTE-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | CC(OCC(OCC=CC#C)=O)=O |