| SpectraBase Compound ID | LVg0jSw7m4G |
|---|---|
| InChI | InChI=1S/C14H25ClO4/c1-2-10-18-13(16)12-14(17)19-11-8-6-4-3-5-7-9-15/h2-12H2,1H3 |
| InChIKey | CSXNAOIJZYGGFP-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 | C6KPI7bgdcy |
|---|---|
| Name | Malonic acid, 8-chlorooctyl propyl 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/c1-2-10-18-13(16)12-14(17)19-11-8-6-4-3-5-7-9-15/h2-12H2,1H3 |
| InChIKey | CSXNAOIJZYGGFP-UHFFFAOYSA-N |
| Molecular Weight | 292.803 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCCC)=O |