| SpectraBase Compound ID | GuRfjbIZglM |
|---|---|
| InChI | InChI=1S/C15H27ClO4/c1-2-3-11-19-14(17)13-15(18)20-12-9-7-5-4-6-8-10-16/h2-13H2,1H3 |
| InChIKey | BPVJFODNWKIIMW-UHFFFAOYSA-N |
| Mol Weight | 306.83 g/mol |
| Molecular Formula | C15H27ClO4 |
| Exact Mass | 306.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9n9TcW782Gz |
|---|---|
| Name | Malonic acid, butyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.159787045 u |
| Formula | C15H27ClO4 |
| InChI | InChI=1S/C15H27ClO4/c1-2-3-11-19-14(17)13-15(18)20-12-9-7-5-4-6-8-10-16/h2-13H2,1H3 |
| InChIKey | BPVJFODNWKIIMW-UHFFFAOYSA-N |
| Molecular Weight | 306.830 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCCCC)=O |