| SpectraBase Spectrum ID |
tiIRMUh3ql |
| Name |
1,1'-Biphenyl, 2,2',4,4',6-pentachloro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.883388661 u |
| Formula |
C12H5Cl5 |
| InChI |
InChI=1S/C12H5Cl5/c13-6-1-2-8(9(15)3-6)12-10(16)4-7(14)5-11(12)17/h1-5H |
| InChIKey |
RKUAZJIXKHPFRK-UHFFFAOYSA-N |
| Molecular Weight |
326.437 g/mol |
| SMILES |
C1=CC(=CC(=C1C1=C(C=C(C=C1Cl)Cl)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944653 |
