![o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether](/api/spectrum/5058YyrfWdA/structure.png?h=300&w=458 "o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether")
| SpectraBase Compound ID | 24ymcuuCyVk |
|---|---|
| InChI | InChI=1S/C16H12Cl2OS/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-4,7-10H,11-12H2 |
| InChIKey | NACQCBCRYZUDDC-UHFFFAOYSA-N |
| Mol Weight | 323.24 g/mol |
| Molecular Formula | C16H12Cl2OS |
| Exact Mass | 321.998592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5058YyrfWdA |
|---|---|
| Name | o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.998591579 u |
| Formula | C16H12Cl2OS |
| InChI | InChI=1S/C16H12Cl2OS/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-4,7-10H,11-12H2 |
| InChIKey | NACQCBCRYZUDDC-UHFFFAOYSA-N |
| Molecular Weight | 323.237 g/mol |
| SMILES | C=1C(=C(C=CC1)Cl)SCC#CCOC=1C(=CC=CC1)Cl |