| SpectraBase Compound ID | Fr84Qdc7Mne |
|---|---|
| InChI | InChI=1S/C11H12Cl2O2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2 |
| InChIKey | ZSYKPXRQYIMAOB-UHFFFAOYSA-N |
| Mol Weight | 247.12 g/mol |
| Molecular Formula | C11H12Cl2O2 |
| Exact Mass | 246.021435 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 | LA6y7B97zgY |
|---|---|
| Name | 5-Chlorovaleric acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.021435024 u |
| Formula | C11H12Cl2O2 |
| InChI | InChI=1S/C11H12Cl2O2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2 |
| InChIKey | ZSYKPXRQYIMAOB-UHFFFAOYSA-N |
| Molecular Weight | 247.121 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CCCCCl)=O)Cl |