| SpectraBase Compound ID | 3EmZgliDwcI |
|---|---|
| InChI | InChI=1S/C14H25ClO4/c1-3-4-5-6-7-8-9-18-13(16)10-14(17)19-11-12(2)15/h12H,3-11H2,1-2H3 |
| InChIKey | DFJKJUMOXRTFSC-UHFFFAOYSA-N |
| Mol Weight | 292.8 g/mol |
| Molecular Formula | C14H25ClO4 |
| Exact Mass | 292.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhiEHCPH4aS |
|---|---|
| Name | Malonic acid, 2-chloropropyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.144136981 u |
| Formula | C14H25ClO4 |
| InChI | InChI=1S/C14H25ClO4/c1-3-4-5-6-7-8-9-18-13(16)10-14(17)19-11-12(2)15/h12H,3-11H2,1-2H3 |
| InChIKey | DFJKJUMOXRTFSC-UHFFFAOYSA-N |
| Molecular Weight | 292.803 g/mol |
| SMILES | C(C(OCC(C)Cl)=O)C(OCCCCCCCC)=O |