| SpectraBase Compound ID | Aw1FiFYSezY |
|---|---|
| InChI | InChI=1S/C15H27ClO4/c1-13(2)12-20-15(18)11-14(17)19-10-8-6-4-3-5-7-9-16/h13H,3-12H2,1-2H3 |
| InChIKey | HSJUCFNMXKNWJC-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 | 6o3f1yQDsdM |
|---|---|
| Name | Malonic acid, 8-chlorooctyl isobutyl 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/c1-13(2)12-20-15(18)11-14(17)19-10-8-6-4-3-5-7-9-16/h13H,3-12H2,1-2H3 |
| InChIKey | HSJUCFNMXKNWJC-UHFFFAOYSA-N |
| Molecular Weight | 306.830 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCC(C)C)=O |