| SpectraBase Compound ID | DIGoCbLCBp1 |
|---|---|
| InChI | InChI=1S/C7H11ClO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3 |
| InChIKey | GEMFOQNVIPGLNR-UHFFFAOYSA-N |
| Mol Weight | 178.61 g/mol |
| Molecular Formula | C7H11ClO3 |
| Exact Mass | 178.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aFvJNoL8ci |
|---|---|
| Name | Ethyl 2-chloro-3-oxopentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.039671911 u |
| Formula | C7H11ClO3 |
| InChI | InChI=1S/C7H11ClO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3 |
| InChIKey | GEMFOQNVIPGLNR-UHFFFAOYSA-N |
| Molecular Weight | 178.615 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)CC)Cl |