| SpectraBase Compound ID | 48JNNR0oV20 |
|---|---|
| InChI | InChI=1S/C8H13ClO4/c1-3-12-7(10)4-8(11)13-5-6(2)9/h6H,3-5H2,1-2H3 |
| InChIKey | LNNJMHLJYAMEAG-UHFFFAOYSA-N |
| Mol Weight | 208.64 g/mol |
| Molecular Formula | C8H13ClO4 |
| Exact Mass | 208.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cf8q3jkFDrQ |
|---|---|
| Name | Malonic acid, 2-chloropropyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.050236595 u |
| Formula | C8H13ClO4 |
| InChI | InChI=1S/C8H13ClO4/c1-3-12-7(10)4-8(11)13-5-6(2)9/h6H,3-5H2,1-2H3 |
| InChIKey | LNNJMHLJYAMEAG-UHFFFAOYSA-N |
| Molecular Weight | 208.641 g/mol |
| SMILES | C(C(OCC(C)Cl)=O)C(OCC)=O |