| SpectraBase Spectrum ID |
JOkyeO7e4Nj |
| Name |
5'-(Methylthio)-2,3,3',4,4'-pentachlorobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.871109899 u |
| Formula |
C13H7Cl5S |
| InChI |
InChI=1S/C13H7Cl5S/c1-19-10-5-6(4-9(15)12(10)17)7-2-3-8(14)13(18)11(7)16/h2-5H,1H3 |
| InChIKey |
FIPMWJGVXOXLBP-UHFFFAOYSA-N |
| Molecular Weight |
372.524 g/mol |
| SMILES |
C1(=C(C=2C=C(SC)C(=C(C2)Cl)Cl)C=CC(=C1Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852921 |
