| SpectraBase Compound ID | vnX2XnQIJ3 |
|---|---|
| InChI | InChI=1S/C7H6Cl2O2/c1-2-3-4-5-11-7(10)6(8)9/h1,3-4,6H,5H2 |
| InChIKey | NNFFABBXUJXUSY-UHFFFAOYSA-N |
| Mol Weight | 193.03 g/mol |
| Molecular Formula | C7H6Cl2O2 |
| Exact Mass | 191.974485 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 | 5lr6XD2IiNQ |
|---|---|
| Name | Dichloroacetic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.974484831 u |
| Formula | C7H6Cl2O2 |
| InChI | InChI=1S/C7H6Cl2O2/c1-2-3-4-5-11-7(10)6(8)9/h1,3-4,6H,5H2 |
| InChIKey | NNFFABBXUJXUSY-UHFFFAOYSA-N |
| Molecular Weight | 193.029 g/mol |
| SMILES | C(C(=O)OCC=CC#C)(Cl)Cl |