| SpectraBase Compound ID | 98v30ZFJKs8 |
|---|---|
| InChI | InChI=1S/C14H26Cl2O2/c1-3-9-13(15)14(16)10-7-5-4-6-8-11-18-12(2)17/h13-14H,3-11H2,1-2H3 |
| InChIKey | WVNVXYLBISCWSV-UHFFFAOYSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C14H26Cl2O2 |
| Exact Mass | 296.130985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsD5RJ7KClB |
|---|---|
| Name | Threo-8,9-dichlorododecan-1-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.130985475 u |
| Formula | C14H26Cl2O2 |
| InChI | InChI=1S/C14H26Cl2O2/c1-3-9-13(15)14(16)10-7-5-4-6-8-11-18-12(2)17/h13-14H,3-11H2,1-2H3 |
| InChIKey | WVNVXYLBISCWSV-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCC(C(CCC)Cl)Cl)(C)=O |