| SpectraBase Spectrum ID |
BCioxvby491 |
| Name |
2,3,4,4',5,6-Hexachloro-1,1'-biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.844416329 u |
| Formula |
C12H4Cl6 |
| InChI |
InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H |
| InChIKey |
BTOCFTAWZMMTNB-UHFFFAOYSA-N |
| Molecular Weight |
360.882 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845804 |
