| SpectraBase Spectrum ID |
AdTKzwJt1ed |
| Name |
o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.937777 |
![o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether](/api/spectrum/AdTKzwJt1ed/structure.png?h=300&w=458 "o-Chlorophenyl 4-[(o-chlorophenyl)thio]-2-butynyl ether")
