| SpectraBase Compound ID | 3hMrlECWzSV |
|---|---|
| InChI | InChI=1S/C15H28Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)19-15(18)14(16)17/h13-14H,3-12H2,1-2H3 |
| InChIKey | IQZCBQPKUYHTJW-UHFFFAOYSA-N |
| Mol Weight | 311.29 g/mol |
| Molecular Formula | C15H28Cl2O2 |
| Exact Mass | 310.146636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkGlpuDPymO |
|---|---|
| Name | Dichloroacetic acid, 2-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.146635540 u |
| Formula | C15H28Cl2O2 |
| InChI | InChI=1S/C15H28Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)19-15(18)14(16)17/h13-14H,3-12H2,1-2H3 |
| InChIKey | IQZCBQPKUYHTJW-UHFFFAOYSA-N |
| Molecular Weight | 311.293 g/mol |
| SMILES | CCCCCCCCCCCC(C)OC(=O)C(Cl)Cl |