| SpectraBase Compound ID | 5oWgWCdBPjI |
|---|---|
| InChI | InChI=1S/C12H21ClO4/c1-3-4-5-6-7-16-11(14)8-12(15)17-9-10(2)13/h10H,3-9H2,1-2H3 |
| InChIKey | XHGYTOCDBVKYCB-UHFFFAOYSA-N |
| Mol Weight | 264.75 g/mol |
| Molecular Formula | C12H21ClO4 |
| Exact Mass | 264.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9a8hn8FXbL1 |
|---|---|
| Name | Malonic acid, 2-chloropropyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.112836852 u |
| Formula | C12H21ClO4 |
| InChI | InChI=1S/C12H21ClO4/c1-3-4-5-6-7-16-11(14)8-12(15)17-9-10(2)13/h10H,3-9H2,1-2H3 |
| InChIKey | XHGYTOCDBVKYCB-UHFFFAOYSA-N |
| Molecular Weight | 264.749 g/mol |
| SMILES | C(C(OCC(C)Cl)=O)C(OCCCCCC)=O |