| SpectraBase Compound ID | E7NNdEAIadV |
|---|---|
| InChI | InChI=1S/C9H15ClO4/c1-3-4-13-8(11)5-9(12)14-6-7(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | IQLRLUZXLPNYMG-UHFFFAOYSA-N |
| Mol Weight | 222.67 g/mol |
| Molecular Formula | C9H15ClO4 |
| Exact Mass | 222.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76rjtGK9e0 |
|---|---|
| Name | Malonic acid, 2-chloropropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.065886659 u |
| Formula | C9H15ClO4 |
| InChI | InChI=1S/C9H15ClO4/c1-3-4-13-8(11)5-9(12)14-6-7(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | IQLRLUZXLPNYMG-UHFFFAOYSA-N |
| Molecular Weight | 222.668 g/mol |
| SMILES | C(C(OCC(C)Cl)=O)C(OCCC)=O |