| SpectraBase Compound ID | L3K05rvJAOG |
|---|---|
| InChI | InChI=1S/C13H23ClO4/c1-2-17-12(15)11-13(16)18-10-8-6-4-3-5-7-9-14/h2-11H2,1H3 |
| InChIKey | QVPHPCBYJIWUMA-UHFFFAOYSA-N |
| Mol Weight | 278.78 g/mol |
| Molecular Formula | C13H23ClO4 |
| Exact Mass | 278.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Rfd8cqOSM9 |
|---|---|
| Name | Malonic acid, 8-chlorooctyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.128486917 u |
| Formula | C13H23ClO4 |
| InChI | InChI=1S/C13H23ClO4/c1-2-17-12(15)11-13(16)18-10-8-6-4-3-5-7-9-14/h2-11H2,1H3 |
| InChIKey | QVPHPCBYJIWUMA-UHFFFAOYSA-N |
| Molecular Weight | 278.776 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCC)=O |