| SpectraBase Spectrum ID |
JRqcmTZyrSI |
| Name |
2,4,5,2',4',5'-Hexachlorobiphenyl |
| 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/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H |
| InChIKey |
MVWHGTYKUMDIHL-UHFFFAOYSA-N |
| Molecular Weight |
360.882 g/mol |
| SMILES |
C1(Cl)=CC(=C(C=C1Cl)Cl)C1=C(Cl)C=C(Cl)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941781 |
