| SpectraBase Compound ID | B4D530AVVQA |
|---|---|
| InChI | InChI=1S/C12H23ClO2/c1-4-11(5-2)7-6-10(3)15-12(14)8-9-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | ZKFRKWVWVLCKMS-UHFFFAOYSA-N |
| Mol Weight | 234.77 g/mol |
| Molecular Formula | C12H23ClO2 |
| Exact Mass | 234.138658 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 | 3tvOX8S80c1 |
|---|---|
| Name | 3-Chloropropionic acid, 4-ethyl-1-methylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.138657679 u |
| Formula | C12H23ClO2 |
| InChI | InChI=1S/C12H23ClO2/c1-4-11(5-2)7-6-10(3)15-12(14)8-9-13/h10-11H,4-9H2,1-3H3 |
| InChIKey | ZKFRKWVWVLCKMS-UHFFFAOYSA-N |
| Molecular Weight | 234.767 g/mol |
| SMILES | CCC(CCC(OC(CCCl)=O)C)CC |