| SpectraBase Compound ID | 41dHZ1d4vEg |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-2-3-13-21-16(19)15-17(20)22-14-11-9-7-5-4-6-8-10-12-18/h2-15H2,1H3 |
| InChIKey | BKYAULOETAIPKU-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TM48GcJgoB |
|---|---|
| Name | Malonic acid, butyl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.191087174 u |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-2-3-13-21-16(19)15-17(20)22-14-11-9-7-5-4-6-8-10-12-18/h2-15H2,1H3 |
| InChIKey | BKYAULOETAIPKU-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | C(C(OCCCCCCCCCCCl)=O)C(OCCCC)=O |