| SpectraBase Compound ID | 33lLMVqooOY |
|---|---|
| InChI | InChI=1S/C9H13ClO4/c1-6(11)7(2)14-9(13)5-3-4-8(10)12/h7H,3-5H2,1-2H3 |
| InChIKey | VZGGHTAJHHLUOG-UHFFFAOYSA-N |
| Mol Weight | 220.65 g/mol |
| Molecular Formula | C9H13ClO4 |
| Exact Mass | 220.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJqeBRAhZOw |
|---|---|
| Name | Glutaric acid, monochloride, 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.050236595 u |
| Formula | C9H13ClO4 |
| InChI | InChI=1S/C9H13ClO4/c1-6(11)7(2)14-9(13)5-3-4-8(10)12/h7H,3-5H2,1-2H3 |
| InChIKey | VZGGHTAJHHLUOG-UHFFFAOYSA-N |
| Molecular Weight | 220.652 g/mol |
| SMILES | CC(OC(CCCC(Cl)=O)=O)C(C)=O |