| SpectraBase Compound ID | H8pTlW08zeF |
|---|---|
| InChI | InChI=1S/C13H8Cl2FNO2S/c14-8-4-5-13(12(6-8)17(18)19)20-7-9-10(15)2-1-3-11(9)16/h1-6H,7H2 |
| InChIKey | KAHYYWMLZHZLQU-UHFFFAOYSA-N |
| Mol Weight | 332.18 g/mol |
| Molecular Formula | C13H8Cl2FNO2S |
| Exact Mass | 330.963683 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 | FLFco6Se0zO |
|---|---|
| Name | 1-Chloro-2-(((4-chloro-2-nitrophenyl)sulfanyl)methyl)-3-fluorobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.963683237 u |
| Formula | C13H8Cl2FNO2S |
| InChI | InChI=1S/C13H8Cl2FNO2S/c14-8-4-5-13(12(6-8)17(18)19)20-7-9-10(15)2-1-3-11(9)16/h1-6H,7H2 |
| InChIKey | KAHYYWMLZHZLQU-UHFFFAOYSA-N |
| Molecular Weight | 332.176 g/mol |
| SMILES | C1(N(=O)=O)=CC(Cl)=CC=C1SCC1=C(F)C=CC=C1Cl |