| SpectraBase Compound ID | 3jk8zV1rCt2 |
|---|---|
| InChI | InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-11-14-17-20(22)23-19-16-13-10-9-12-15-18-21/h2-19H2,1H3 |
| InChIKey | BGYGFNNKYRPQBH-UHFFFAOYSA-N |
| Mol Weight | 347.0 g/mol |
| Molecular Formula | C20H39ClO2 |
| Exact Mass | 346.263858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7KfflBeWHh2 |
|---|---|
| Name | Dodecanoic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.263858194 u |
| Formula | C20H39ClO2 |
| InChI | InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-11-14-17-20(22)23-19-16-13-10-9-12-15-18-21/h2-19H2,1H3 |
| InChIKey | BGYGFNNKYRPQBH-UHFFFAOYSA-N |
| Molecular Weight | 346.983 g/mol |
| SMILES | C(Cl)CCCCCCCOC(CCCCCCCCCCC)=O |